SCHEMBL31053002

SCHEMBL31053002

CC(C)c1nccc(SCC(=O)OC(C)(C)C)c1-n1c(=O)nc(O)c2cc(F)c(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 19/20 0.36
PRNP P04156 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SOS1 Q07889 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22848023 1.00 KRAS (0.36) KRASPRNPPOLBKMT2ARXFP1
SCHEMBL31053006 0.93 KRAS (0.32) KRAS
SCHEMBL28678937 0.88 KDM4E (0.39) KRASPRNPRXFP1SOS1
SCHEMBL22848293 0.85 KRAS (0.38) KRASSOS1
SCHEMBL22848180 0.85 KRAS (0.38) KRASSOS1
SCHEMBL31053011 0.85 KRAS (0.50) KRASSOS1
SCHEMBL29238703 0.85 KRAS (0.50) KRASSOS1
SCHEMBL28682007 0.84 KRAS (0.39) KRASSOS1
SCHEMBL22720513 0.83 KRAS (0.39) KRASSOS1
SCHEMBL29486382 0.83 KRAS (0.39) KRASSOS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008037-B Heterocyclic compounds as KRAS G12C inhibitors 广东新契生物医药科技有限公司 2024-06-21 CN disclosed