SCHEMBL30900393

SCHEMBL30900393

CC1CN(c2ccc(OC(F)(F)F)c(Nc3ncc(F)c(-c4ccc5c(c4)C(=O)NC5(C)C)n3)c2)CCN1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 19/20 0.42
▸ FLT3 P36888 6/20 0.41
▸ PLK3 Q9H4B4 7/20 0.41
▸ PLK2 Q9NYY3 6/20 0.41
▸ NEK6 Q9HC98 3/20 0.41
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ MELK Q14680 1/20 0.39
▸ CSNK2A3 Q8NEV1 1/20 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
SCHEMBL29226195 1.00 PLK1 (0.42) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226279 0.90 PLK1 (0.51) PLK1FLT3PLK3PLK2NEK6
SCHEMBL30900352 0.88 PLK1 (0.46) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226218 0.88 PLK1 (0.46) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226231 0.87 PLK1 (0.46) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226351 0.87 PLK1 (0.43) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29227002 0.87 PLK1 (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226360 0.84 PLK1 (0.41) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226660 0.84 PLK1 (0.43) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226263 0.83 PLK1 (0.51) PLK1FLT3PLK3PLK2NEK6

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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