SCHEMBL14242560

SCHEMBL14242560

Cc1cccc(Nc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.51
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 1/20 0.41
CSNK2B P67870 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
PKM P14618 1/20 0.38
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
TTK P33981 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12645238 0.90 CSNK2A1 (0.47) CSNK2A1KDM4ECSNK2BALDH1A1HPGD
SCHEMBL2029597 0.90 CSNK2A1 (0.47) CSNK2A1KDM4EMAPK1CSNK2BHPGD
SCHEMBL2029600 0.90 CSNK2A1 (0.47) CSNK2A1KDM4EMAPK1CSNK2BHPGD
SCHEMBL2029594 0.90 CSNK2A1 (0.47) CSNK2A1KDM4EMAPK1CSNK2BHPGD
SCHEMBL12644694 0.89 CSNK2A1 (0.47) CSNK2A1MAPK1ALDH1A1PIK3CAPRKDC
SCHEMBL12645733 0.88 CSNK2A1 (0.46) CSNK2A1KDM4EMAPK1CSNK2BALDH1A1
SCHEMBL12644827 0.88 CSNK2A1 (0.51) CSNK2A1KDM4EMAPK1CSNK2BALDH1A1
SCHEMBL12645639 0.88 CSNK2A1 (0.46) CSNK2A1PRKDC
SCHEMBL12645246 0.88 CSNK2A1 (0.46) CSNK2A1KDM4ECSNK2BALDH1A1HPGD
SCHEMBL12644771 0.87 CSNK2B (0.42) CSNK2A1KDM4EMAPK1CSNK2BALDH1A1

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