SCHEMBL28682007

SCHEMBL28682007

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.39
SOS1 Q07889 1/20 0.37

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
SCHEMBL28678937 0.91 KDM4E (0.39) KRASSOS1
SCHEMBL22848293 0.91 KRAS (0.38) KRASSOS1
SCHEMBL31053010 0.87 KRAS (0.35) KRAS
SCHEMBL22720513 0.86 KRAS (0.39) KRASSOS1
SCHEMBL29486382 0.86 KRAS (0.39) KRASSOS1
SCHEMBL28696808 0.85 KRAS (0.41) KRASSOS1
SCHEMBL31053002 0.84 KRAS (0.36) KRASSOS1
SCHEMBL22848023 0.84 KRAS (0.36) KRASSOS1
SCHEMBL22848207 0.82 KRAS (0.38) KRAS
SCHEMBL30957847 0.81 KRAS (0.49) 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-A Heterocyclic compounds as KRAS G12C inhibitors 广东新契生物医药科技有限公司 2022-02-01 CN disclosed