SCHEMBL22848330

SCHEMBL22848330

CC(C)c1nccc(CCC(=O)O)c1N1c2nc(-c3c(N)cccc3F)c(F)cc2C(O)=NC1O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.41
SOS1 Q07889 1/20 0.34

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 0.79 KRAS (0.54) KRASSOS1
SCHEMBL29614930 0.79 KRAS (0.54) KRASSOS1
SCHEMBL22848276 0.70 KRAS (0.51) KRASSOS1
SCHEMBL22848275 0.69 KRAS (0.42) KRAS
SCHEMBL29614787 0.69 KRAS (0.42) KRAS
SCHEMBL20806992 0.68 KRAS (0.66) KRAS
SCHEMBL20806966 0.68 KRAS (0.66) KRAS
SCHEMBL22848331 0.68 KRAS (0.36) KRAS
SCHEMBL20805595 0.67 KRAS (0.67) KRAS
SCHEMBL31052998 0.67 KRAS (0.46) 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
WO-2020259513-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-12-30 WO disclosed