SCHEMBL16240834

SCHEMBL16240834

CNC(=O)Oc1nn(C)c2c1CCc1cnc(Nc3cc(N4CCN(C)CC4)ccc3OC)nc1-2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 14/20 0.78
▸ PLK3 Q9H4B4 7/20 0.74
▸ PLK2 Q9NYY3 5/20 0.74
▸ CDK2 P24941 3/20 0.74
▸ CCNA2 P20248 2/20 0.74
▸ CCNA1 P78396 2/20 0.74
▸ RPS6KA4 O75676 1/20 0.74
▸ CDK1 P06493 1/20 0.74
▸ KIT P10721 1/20 0.74
▸ IMPDH2 P12268 1/20 0.74
▸ CCNB1 P14635 1/20 0.74
▸ CSNK2A2 P19784 1/20 0.74
▸ CCNE1 P24864 1/20 0.74
▸ FLT4 P35916 1/20 0.74
▸ CSNK1D P48730 1/20 0.74
▸ CSNK1E P49674 1/20 0.74
▸ CDK5 Q00535 1/20 0.74
▸ DYRK1A Q13627 1/20 0.74
▸ MELK Q14680 1/20 0.74
▸ CDK5R1 Q15078 1/20 0.74

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
SCHEMBL16240157 0.91 PLK1 (0.76) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL3502961 0.88 PLK1 (1.00) PLK1PLK3PLK2CDK2CCNA2
Nms-1286937 SCHEMBL30495915 0.85 PLK1 (1.00) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL16240083 0.83 PLK1 (0.81) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL1560133 0.80 TTK (0.89) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL3503538 0.79 PLK1 (0.86) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL1559156 0.78 PLK1 (0.80) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL12698344 0.77 TTK (0.84) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL3503591 0.77 PLK1 (1.00) PLK1PLK3PLK2CDK2CCNA2
SCHEMBL13249583 0.77 PLK1 (0.84) PLK1PLK3PLK2CDK2CCNA2

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
EP-2125822-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2014-11-19 — — EP claimed
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