SCHEMBL14735647

SCHEMBL14735647

CCCOc1ccccc1-c1cc(-c2ccc3[nH]ncc3c2)nc(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.66
PIM1 P11309 2/20 0.63
MAPK13 O15264 1/20 0.63
DAPK3 O43293 1/20 0.63
ROCK2 O75116 1/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
CDK1 P06493 1/20 0.63
FGFR1 P11362 1/20 0.63
RPS6KB1 P23443 1/20 0.63
CDK2 P24941 1/20 0.63
MAPK1 P28482 1/20 0.63
FLT4 P35916 1/20 0.63
CSNK1A1 P48729 1/20 0.63
CSNK1D P48730 1/20 0.63
MAPKAPK2 P49137 1/20 0.63
CLK2 P49760 1/20 0.63
GSK3A P49840 1/20 0.63
GSK3B P49841 1/20 0.63
IRAK1 P51617 1/20 0.63

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
SCHEMBL13305003 0.83 CDC7 (0.52) CDC7PIM1MAPK13DAPK3ROCK2
SCHEMBL3343878 0.82 CDC7 (0.44) CDC7PIM1MAPK13DAPK3ROCK2
SCHEMBL4245829 0.80 CDC7 (1.00) CDC7PIM1MAPK13DAPK3ROCK2
SCHEMBL383588 0.80 PIM1 (0.70) CDC7PIM1GSK3BCSNK2A1PDE5A
SCHEMBL383394 0.80 PIM1 (0.53) CDC7PIM1GSK3BCSNK2A1PDE5A
SCHEMBL385584 0.78 CDC7 (1.00) CDC7PIM1MAPK13DAPK3ROCK2
SCHEMBL385628 0.77 PIM1 (0.49) CDC7PIM1MAPK1GSK3BCSNK2A1
SCHEMBL4245493 0.76 CDC7 (1.00) CDC7PIM1MAPK13DAPK3ROCK2
SCHEMBL385518 0.76 PIM1 (0.67) CDC7PIM1GSK3BCSNK2A1PDE5A
SCHEMBL3339927 0.76 PIM1 (0.46) CDC7PIM1MAPK13DAPK3ROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP claimed
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP disclosed