SCHEMBL30825160

SCHEMBL30825160

CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc(F)cn3)c2)CC1CO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 20/20 0.46
▸ PLK3 Q9H4B4 6/20 0.46
▸ PLK2 Q9NYY3 5/20 0.46
▸ FLT3 P36888 4/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ MELK Q14680 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ NEK6 Q9HC98 2/20 0.44
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 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
SCHEMBL30825098 0.92 PLK1 (0.46) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL30825164 0.77 CHRM4 (0.37) PLK1PLK3PLK2
SCHEMBL29226259 0.77 CHRM4 (0.37) PLK1PLK3PLK2
SCHEMBL29226658 0.77 CHRM4 (0.37) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL30900418 0.77 CHRM4 (0.37) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL29226660 0.77 PLK1 (0.43) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL30825152 0.71 ALK (0.46) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL30900433 0.71 PLK1 (0.57) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL29226213 0.71 PLK1 (0.57) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL29226256 0.70 PLK1 (0.59) PLK1PLK3PLK2FLT3CSNK2A2

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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