SCHEMBL31053005

SCHEMBL31053005

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 19/20 0.35

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
SCHEMBL22848180 0.93 KRAS (0.38) KRAS
SCHEMBL31052998 0.86 KRAS (0.46) KRAS
SCHEMBL28696808 0.83 KRAS (0.41) KRAS
SCHEMBL22848023 0.79 KRAS (0.36) KRAS
SCHEMBL31053002 0.79 KRAS (0.36) KRAS
SCHEMBL22848276 0.78 KRAS (0.51) KRAS
SCHEMBL31053009 0.78 KRAS (0.36) KRAS
SCHEMBL31053006 0.77 KRAS (0.32) KRAS
SCHEMBL22724637 0.73 KRAS (0.49) KRAS
SCHEMBL30957847 0.73 KRAS (0.49) 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