SCHEMBL6926567

SCHEMBL6926567

CC(C)(C)OC(=O)N1CCC(Nc2cc(Nc3cccc(Cl)c3)nc3c(/C=C(\N)C(N)=O)cnn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 5/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
STS P08842 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL2030673 0.90 CSNK2B (0.47) CSNK2A2CSNK2BCSNK2A1MAPTRXFP1
SCHEMBL2031070 0.84 CSNK2B (0.40) CSNK2A2CSNK2BCSNK2A1MAPTRXFP1
SCHEMBL2031069 0.84 CSNK2B (0.40) CSNK2A2CSNK2BCSNK2A1MAPTRXFP1
SCHEMBL6927674 0.84 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL12644562 0.81 CSNK2B (0.47) CSNK2A2CSNK2BCSNK2A1MAPTNPC1
SCHEMBL2030917 0.77 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1EGFRCDK2
SCHEMBL2030915 0.77 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1EGFRCDK2
SCHEMBL12583803 0.75 CSNK2B (0.39) CSNK2BMAPTRXFP1TP53POLB
SCHEMBL17641222 0.75 CSNK2B (0.39) CSNK2BMAPTRXFP1TP53POLB
SCHEMBL1934230 0.75 CSNK2B (0.63) CSNK2A2CSNK2BCSNK2A1

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-2011068667-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed