SCHEMBL29614874

SCHEMBL29614874

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

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.40
SOS1 Q07889 1/20 0.38

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
SCHEMBL30957847 0.89 KRAS (0.49) KRASSOS1
SCHEMBL22724637 0.89 KRAS (0.49) KRASSOS1
Hydrochloric Acid SCHEMBL30957877 0.88 KRAS (0.49) KRASSOS1
SCHEMBL28566364 0.87 KRAS (0.42) KRAS
SCHEMBL22720513 0.86 KRAS (0.39) KRASSOS1
SCHEMBL29486382 0.86 KRAS (0.39) KRASSOS1
SCHEMBL28696808 0.82 KRAS (0.41) KRASSOS1
SCHEMBL28678937 0.81 KDM4E (0.39) KRASSOS1
SCHEMBL23272894 0.81 KRAS (0.45) KRAS
SCHEMBL28557210 0.80 KRAS (0.42) 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
EP-3990448-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C Guangdong Newopp Biopharmaceuticals Co., Ltd. (CN) 2022-05-04 EP disclosed