SCHEMBL31053006

SCHEMBL31053006

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.32

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
SCHEMBL31053002 0.93 KRAS (0.36) KRAS
SCHEMBL22848023 0.93 KRAS (0.36) KRAS
SCHEMBL28678937 0.84 KDM4E (0.39) KRAS
SCHEMBL28682007 0.79 KRAS (0.39) KRAS
SCHEMBL22848293 0.79 KRAS (0.38) KRAS
SCHEMBL22848180 0.79 KRAS (0.38) KRAS
SCHEMBL31053011 0.79 KRAS (0.50) KRAS
SCHEMBL29238703 0.79 KRAS (0.50) KRAS
SCHEMBL31053005 0.77 KRAS (0.35) KRAS
SCHEMBL22720513 0.77 KRAS (0.39) KRAS

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