SCHEMBL30825098

SCHEMBL30825098

CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc(F)cn3)c2)CC1CF

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 20/20 0.46
▸ PLK3 Q9H4B4 5/20 0.46
▸ PLK2 Q9NYY3 5/20 0.46
▸ FLT3 P36888 5/20 0.43
▸ NEK6 Q9HC98 2/20 0.43
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ MELK Q14680 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ ALK Q9UM73 1/20 0.40

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
SCHEMBL30825160 0.92 PLK1 (0.46) PLK1PLK3PLK2FLT3NEK6
SCHEMBL30900381 0.77 SOS1 (0.39) PLK1FLT3
SCHEMBL29226360 0.77 PLK1 (0.41) PLK1PLK3PLK2FLT3NEK6
SCHEMBL29226363 0.73 SIRT6 (0.42) —
SCHEMBL30900433 0.71 PLK1 (0.57) PLK1PLK3PLK2FLT3NEK6
SCHEMBL29226213 0.71 PLK1 (0.57) PLK1PLK3PLK2FLT3NEK6
SCHEMBL30825152 0.70 ALK (0.46) PLK1PLK3PLK2FLT3NEK6
SCHEMBL29226256 0.69 PLK1 (0.59) PLK1PLK3PLK2FLT3NEK6
SCHEMBL15859003 0.68 MAPT (0.43) —
SCHEMBL30825086 0.68 PLK1 (0.45) PLK1PLK3PLK2FLT3NEK6

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
WO-2024051717-A1 COMPOUND AS PLK1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海深势唯思科技有限责任公司 2024-03-14 — — WO disclosed
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