SCHEMBL28651239

SCHEMBL28651239

O=C(O)N1CCN2Cc3cc(Cl)c(Br)c(I)c3OC[C@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 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
SCHEMBL28654351 0.87 KRAS (0.55) KRAS
SCHEMBL28651226 0.87 KRAS (0.48) KRAS
SCHEMBL23496638 0.87 KRAS (0.50) KRAS
SCHEMBL29693111 0.85 KRAS (0.42) KRAS
SCHEMBL24558159 0.85 KRAS (0.42) KRAS
SCHEMBL23496866 0.85 KRAS (0.55) KRAS
SCHEMBL23496661 0.85 KRAS (0.55) KRAS
SCHEMBL28655475 0.85 KRAS (0.48) KRAS
SCHEMBL28658840 0.81 KRAS (0.42) KRAS
SCHEMBL23496696 0.81 KRAS (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113508118-A Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2021-10-15 CN disclosed