Case study
Oncology with Selective CRAF Kinase Inhibitors
Challenge
Developing a highly selective CRAF kinase inhibitor — a drug target with significant therapeutic potential in oncology but with no effective therapies currently available.
Solution & Impact
Using BIOPTIC AI, we identified 300 potential inhibitors in silico with high selectivity for CRAF, exceeding client expectations. This success led to an extended collaboration to discover and optimize lead molecules for 10 additional drug targets, bringing us closer to a first-in-class cancer therapy.
Run predictions
Predict selective binders from Enamine 40 billion molecules that hit the desired kinase and not hit the kinase anti-target
Select hits
300 diverse molecules
significantly higher scores for desired target vs. anti-target (lower right corner)
Select hits
3 hours
Recall rate
100%
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