As specialists in the design and synthesis of small molecules at ComInnex we have also involved ourselves into the increasingly important area of protein degradation and proteolysis targeted chimeras in particular. Our approach is a toolkit approach enabling researchers to access novel structures for their chimeras, and in particular in the provision of E3 Ligase ligands and linkers.
Fast Compound Design and Validation Platform (FCDVP)
Underlying our work is a software supported workflow and method for the rapid design and also validation of novel structures. ComInnex developed the Fast Compound Design and Validation Platform (FCDVP) as part of an oncology based research project and has validated it in a number of in-vivo studies. The platform can rapidly identify, via text-mining and ontological searching relevant compounds based on existing known published pharmacological data. From this FCDVP, combining machine learning, computer aided compound design and the intuition and experience of our chemists, generates potential compound libraries. These designs are further validated via in silico models and then checked for novelty.
All the compounds in our protein degrader toolkits have been developed by this method. Currently we have the following compound sets are available for purchase:
- E3 ligase ligands for Cereblon
- E3 ligase ligands for IAP
- Semi rigid linkers
If the toolkit does not have what you are looking for then our custom chemistry group can:
- Design and synthesize novel ligands for your E3 ligases. We can apply our experience to the E3 ligase of your choice and develop bespoke compound sets for you.
- Custom synthesize full or partial chimeras.
- Design and enumerate both partial and full chimera libraries being combinations of linkers and ligands.