SCHEMBL29226306

SCHEMBL29226306

COc1ccc(N2CCN(C)C(C(C)(C)O)C2)cc1Nc1ncc(F)c(-c2ccc3c(c2)C(=O)NC32CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 11/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ ALK Q9UM73 5/20 0.40
▸ EGFR P00533 3/20 0.39

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
SCHEMBL29226390 0.89 TNK2 (0.42) TNK2IGF1RCDK2ALKEGFR
SCHEMBL29226349 0.87 TNK2 (0.51) TNK2CDK2ALKEGFR
SCHEMBL29226660 0.84 PLK1 (0.43) CDK2
SCHEMBL29226360 0.83 PLK1 (0.41) CDK2
SCHEMBL29226263 0.81 PLK1 (0.51) CDK2ALK
SCHEMBL30900447 0.81 PLK1 (0.39) CDK2
SCHEMBL29226364 0.81 CDK6 (0.44) TNK2CDK2EGFR
SCHEMBL29226288 0.80 TNK2 (0.47) TNK2CDK2EGFR
SCHEMBL29227026 0.80 EGFR (0.46) TNK2CDK2EGFR
SCHEMBL29227028 0.80 ALK (0.46) TNK2CDK2ALKEGFR

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-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 — — CN disclosed
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