SCHEMBL30767905

SCHEMBL30767905

COc1cccc(F)c1-c1nc2c(cc1F)c(N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c([N+](=O)[O-])c(=O)n2-c1c(C)ccnc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.46
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
SCHEMBL29828329 1.00 KRAS (0.46) KRASSOS1
SCHEMBL29907423 1.00 KRAS (0.46) KRASSOS1
SCHEMBL29163255 1.00 KRAS (0.46) KRASSOS1
SCHEMBL28676689 1.00 KRAS (0.46) KRASSOS1
SCHEMBL29907565 1.00 KRAS (0.46) KRASSOS1
SCHEMBL28675307 0.96 KRAS (0.47) KRAS
SCHEMBL29828462 0.96 KRAS (0.47) KRAS
SCHEMBL29907567 0.96 KRAS (0.47) KRAS
SCHEMBL28930658 0.94 KRAS (0.44) KRASSOS1
SCHEMBL30767914 0.94 KRAS (0.44) 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-115057872-B Substituted heterocyclo-cyclic compounds, preparation and pharmaceutical use thereof 劲方医药科技(上海)股份有限公司 2025-03-18 CN disclosed
CN-117645614-A Substituted heterocyclo-cyclic compounds, preparation and pharmaceutical use thereof 劲方医药科技(上海)有限公司 2024-03-05 CN disclosed