SCHEMBL14242545

SCHEMBL14242545

COc1c(C)cc(-c2cc(NC3CC3)n3ncc(/C=C(\NC=O)C(N)=O)c3n2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.41
CSNK2B P67870 2/20 0.39
BCL6 P41182 2/20 0.34
TYK2 P29597 2/20 0.34
KCNH2 Q12809 3/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
TTK P33981 2/20 0.32
CDK2 P24941 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK3 O43781 1/20 0.32
CSNK2A2 P19784 1/20 0.32
PIM3 Q86V86 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
NR2F2 P24468 1/20 0.31

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
SCHEMBL14243124 0.81 CSNK2B (0.48) CSNK2A1CSNK2BBCL6TYK2KCNH2
SCHEMBL14243408 0.77 CSNK2B (0.41) CSNK2A1CSNK2BBCL6TYK2MEN1
SCHEMBL14242544 0.76 CSNK2B (0.51) CSNK2A1CSNK2BBCL6TYK2KCNH2
SCHEMBL14242464 0.76 CSNK2B (0.44) CSNK2A1CSNK2BBCL6TYK2KCNH2
SCHEMBL14242540 0.76 CSNK2B (0.37) CSNK2A1CSNK2BTYK2CCNT1CDK9
SCHEMBL19527149 0.75 MLNR (0.38) CSNK2B
SCHEMBL14243301 0.74 CSNK2B (0.48) CSNK2A1CSNK2BTYK2KCNH2CDK2
SCHEMBL14242542 0.74 CSNK2B (0.40) CSNK2A1CSNK2BBCL6
SCHEMBL14243294 0.73 CSNK2B (0.45) CSNK2A1CSNK2BTYK2KCNH2MEN1
SCHEMBL19526918 0.72 CSNK2B (0.40) CSNK2A1CSNK2BBCL6TYK2MEN1

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