SCHEMBL22848337

SCHEMBL22848337

CNc1cccc(Cl)c1-c1nc2c(cc1F)c(=O)[nH]c(=O)n2-c1c(CCC=O)ccnc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.41

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
SCHEMBL29614787 0.80 KRAS (0.42) KRAS
SCHEMBL22848275 0.80 KRAS (0.42) KRAS
SCHEMBL22848184 0.77 KRAS (0.40) KRAS
SCHEMBL22848351 0.74 KRAS (0.48) KRAS
SCHEMBL22848336 0.74 KRAS (0.45) KRAS
SCHEMBL23234919 0.73 KRAS (0.57) KRAS
SCHEMBL25886926 0.73 KRAS (0.35) KRAS
SCHEMBL31053009 0.72 KRAS (0.36) KRAS
SCHEMBL23415210 0.71 KRAS (0.61) KRAS
SCHEMBL29593106 0.71 KRAS (0.61) 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
WO-2020259513-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-12-30 WO disclosed