SCHEMBL28928620

SCHEMBL28928620

CN(C)CC#Cc1cc2c(c(F)c1Br)OC[C@H]1CN(C(=O)O)CCN1C2

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 16/20 0.45

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
SCHEMBL29693118 0.89 KRAS (0.42) KRAS
SCHEMBL24558474 0.89 KRAS (0.42) KRAS
SCHEMBL28664223 0.87 KRAS (0.56) KRAS
SCHEMBL28651208 0.86 KRAS (0.47) KRAS
SCHEMBL28654349 0.81 KRAS (0.56) KRAS
SCHEMBL28656532 0.80 KRAS (0.54) KRAS
SCHEMBL28671533 0.79 KRAS (0.53) KRAS
SCHEMBL28658835 0.79 KRAS (0.48) KRAS
SCHEMBL28654351 0.79 KRAS (0.55) KRAS
SCHEMBL28671279 0.78 KRAS (0.55) 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