SCHEMBL29614930

SCHEMBL29614930

CC(C)c1nccc(CCC(=O)O)c1-n1c(=O)nc(O)c2cc(F)c(-c3c(N)cccc3F)nc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.54
SOS1 Q07889 1/20 0.46

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
SCHEMBL24436419 1.00 KRAS (0.54) KRASSOS1
SCHEMBL22848276 0.90 KRAS (0.51) KRASSOS1
SCHEMBL28695435 0.85 KRAS (0.53) KRASSOS1
SCHEMBL31052998 0.85 KRAS (0.46) KRASSOS1
SCHEMBL28696808 0.83 KRAS (0.41) KRASSOS1
SCHEMBL22848275 0.81 KRAS (0.42) KRAS
SCHEMBL29614787 0.81 KRAS (0.42) KRAS
SCHEMBL31053011 0.79 KRAS (0.50) KRASSOS1
SCHEMBL29238703 0.79 KRAS (0.50) KRASSOS1
SCHEMBL22848330 0.79 KRAS (0.41) 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 2 patents. 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
EP-3990448-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C Guangdong Newopp Biopharmaceuticals Co., Ltd. (CN) 2022-05-04 EP disclosed