SCHEMBL29226263

SCHEMBL29226263

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 18/20 0.51
▸ FLT3 P36888 6/20 0.50
▸ PLK3 Q9H4B4 5/20 0.49
▸ PLK2 Q9NYY3 4/20 0.49
▸ NEK6 Q9HC98 3/20 0.49
▸ ALK Q9UM73 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ MELK Q14680 1/20 0.46
▸ CSNK2A3 Q8NEV1 1/20 0.46
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ CCND1 P24385 2/20 0.44
▸ CDK6 Q00534 2/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND3 P30281 1/20 0.44

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
SCHEMBL29226641 0.92 CDK6 (0.49) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226279 0.92 PLK1 (0.51) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226349 0.92 TNK2 (0.51) PLK1PLK3PLK2ALKCSNK2A2
SCHEMBL29227026 0.91 EGFR (0.46) CCNA2CDK2CCND1CDK6CCNE2
SCHEMBL29226288 0.91 TNK2 (0.47) CCNA2CDK2CCND1CDK6CCNE2
SCHEMBL29226285 0.90 TNK2 (0.41) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29227028 0.90 ALK (0.46) ALKCCNA2CDK2CCND1CDK6
SCHEMBL29226273 0.90 PLK1 (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226364 0.89 CDK6 (0.44) PLK1FLT3PLK3PLK2CSNK2A2
SCHEMBL29226199 0.89 CDK6 (0.46) CCNA2CDK2CCND1CDK6CCNE2

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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