SCHEMBL29226364

SCHEMBL29226364

CN1CCN(c2ccc(OCCO)c(Nc3ncc(F)c(-c4ccc5c(c4)C(=O)NC54CC4)n3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 6/20 0.44
▸ CCND1 P24385 5/20 0.44
▸ CDK4 P11802 3/20 0.44
▸ CCNA2 P20248 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ CCND3 P30281 3/20 0.44
▸ CCNE2 O96020 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ TNK2 Q07912 7/20 0.44
▸ PLK1 P53350 3/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ MELK Q14680 1/20 0.43
▸ CSNK2A3 Q8NEV1 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ PLK2 Q9NYY3 1/20 0.43
▸ EGFR P00533 3/20 0.42

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
SCHEMBL29226288 0.93 TNK2 (0.47) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL29226349 0.91 TNK2 (0.51) CCNA2CDK2CDK1TNK2PLK1
SCHEMBL29227026 0.90 EGFR (0.46) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL29227028 0.89 ALK (0.46) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL29226263 0.89 PLK1 (0.51) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL29226305 0.88 CDK6 (0.49) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL30978399 0.87 CCND1 (0.44) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL29246590 0.87 CCND1 (0.46) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL29246619 0.85 CDK6 (0.48) CDK6CCND1CDK4CCNA2CDK2
SCHEMBL29226199 0.85 CDK6 (0.46) CDK6CCND1CDK4CCNA2CDK2

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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