SCHEMBL30767904

SCHEMBL30767904

COc1cccc(F)c1-c1nc2c(cc1C1CC1)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)c([N+](=O)[O-])c(=O)n2-c1c(C)ccnc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.44

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
SCHEMBL27151680 1.00 KRAS (0.44) KRAS
SCHEMBL29828315 0.95 KRAS (0.44) KRAS
SCHEMBL28676690 0.95 KRAS (0.44) KRAS
SCHEMBL30002547 0.93 KRAS (0.50) KRAS
SCHEMBL29828145 0.88 KRAS (0.50) KRAS
SCHEMBL29963239 0.88 KRAS (0.50) KRAS
SCHEMBL29828479 0.87 KRAS (0.49) KRAS
SCHEMBL25829529 0.87 KRAS (0.49) KRAS
SCHEMBL29828446 0.87 KRAS (0.49) KRAS
SCHEMBL28678845 0.86 KRAS (0.52) 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 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