SCHEMBL14242596

SCHEMBL14242596

NC(=O)/C(=C/c1cnn2c(NC3CC3)cc(NCc3ccccc3-c3cccs3)nc12)NC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 3/20 0.37
CSNK2A2 P19784 5/20 0.32
CDK2 P24941 3/20 0.32
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
TYK2 P29597 2/20 0.32
GSK3B P49841 1/20 0.32
TTK P33981 2/20 0.31
LTA4H P09960 1/20 0.31
CDK7 P50613 1/20 0.31
SYK P43405 1/20 0.31
HIPK1 Q86Z02 1/20 0.30
DYRK2 Q92630 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
HIPK3 Q9H422 1/20 0.30
STK17A Q9UEE5 1/20 0.30
CDK9 P50750 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL14242893 0.87 CSNK2B (0.40) CSNK2BCSNK2A1CSNK2A2TYK2TTK
SCHEMBL14243124 0.77 CSNK2B (0.48) CSNK2BCSNK2A1CSNK2A2CDK2CCNA2
SCHEMBL14242544 0.76 CSNK2B (0.51) CSNK2BCSNK2A1CSNK2A2CDK2TYK2
SCHEMBL14242539 0.76 CSNK2B (0.44) CSNK2BCSNK2A1CSNK2A2CDK2TYK2
SCHEMBL14243301 0.76 CSNK2B (0.48) CSNK2BCSNK2A1CSNK2A2CDK2TYK2
SCHEMBL14243294 0.76 CSNK2B (0.45) CSNK2BCSNK2A1CSNK2A2CDK2TYK2
SCHEMBL14242500 0.73 CSNK2B (0.38) CSNK2BCSNK2A1CSNK2A2CDK2TYK2
SCHEMBL14242464 0.73 CSNK2B (0.44) CSNK2BCSNK2A1CSNK2A2CDK2TYK2
SCHEMBL14242503 0.70 CSNK2B (0.38) CSNK2BCSNK2A1CSNK2A2CDK2CHEK1
SCHEMBL14158133 0.70 CSNK2B (0.38) CSNK2BCSNK2A1CSNK2A2CDK2CHEK1

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-2012170827-A2 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed