SCHEMBL14242539

SCHEMBL14242539

NC(=O)/C(=C/c1cnn2c(NC3CC3)cc(Nc3nc4ccccc4s3)nc12)NC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 3/20 0.44
ITK Q08881 4/20 0.42
LCK P06239 3/20 0.40
AURKB Q96GD4 3/20 0.40
CSNK2A2 P19784 6/20 0.38
CSNK2A1 P68400 2/20 0.38
TYK2 P29597 2/20 0.37
DPP4 P27487 1/20 0.36
KCNH2 Q12809 3/20 0.35
DHODH Q02127 2/20 0.35
RORC P51449 1/20 0.35
DYRK3 O43781 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
PIM3 Q86V86 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL14243301 0.82 CSNK2B (0.48) CSNK2BCSNK2A2CSNK2A1TYK2KCNH2
SCHEMBL14242544 0.80 CSNK2B (0.51) CSNK2BCSNK2A2CSNK2A1TYK2KCNH2
SCHEMBL14243294 0.79 CSNK2B (0.45) CSNK2BCSNK2A2CSNK2A1TYK2KCNH2
SCHEMBL14243124 0.79 CSNK2B (0.48) CSNK2BCSNK2A2CSNK2A1TYK2KCNH2
SCHEMBL14242464 0.76 CSNK2B (0.44) CSNK2BCSNK2A2CSNK2A1TYK2KCNH2
SCHEMBL14242596 0.76 CSNK2B (0.40) CSNK2BCSNK2A2CSNK2A1TYK2KCNH2
SCHEMBL12583367 0.76 CSNK2B (0.43) CSNK2BITKLCKAURKBCSNK2A2
SCHEMBL15368253 0.75 ITK (0.43) CSNK2BITKLCKAURKBCSNK2A2
SCHEMBL12583272 0.74 CSNK2B (0.59) CSNK2BITKLCKAURKBMEN1
SCHEMBL14242893 0.74 CSNK2B (0.40) CSNK2BCSNK2A2CSNK2A1TYK2MEN1

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