SCHEMBL28675307

SCHEMBL28675307

COc1cccc(F)c1-c1nc2c(cc1Cl)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 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.47

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
SCHEMBL29907567 1.00 KRAS (0.47) KRAS
SCHEMBL29828462 1.00 KRAS (0.47) KRAS
SCHEMBL29907565 0.96 KRAS (0.46) KRAS
SCHEMBL30767905 0.96 KRAS (0.46) KRAS
SCHEMBL29828329 0.96 KRAS (0.46) KRAS
SCHEMBL29907423 0.96 KRAS (0.46) KRAS
SCHEMBL29163255 0.96 KRAS (0.46) KRAS
SCHEMBL28676689 0.96 KRAS (0.46) KRAS
SCHEMBL27145217 0.93 KRAS (0.49) KRAS
SCHEMBL31220148 0.92 KRAS (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-115057872-A Substituted heterocyclic ring compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-09-16 CN disclosed
CN-113853373-B Substituted heterocyclic ring compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-08-05 CN disclosed
CN-113853373-A Substituted heterocyclic ring compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2021-12-28 CN disclosed