SCHEMBL4019927

SCHEMBL4019927

O=C1[N]c2cc(-c3cc(-c4ccccc4Cl)[nH]c(=O)n3)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.59
CDC7 O00311 8/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GSK3B P49841 2/20 0.41
CSNK2A1 P68400 2/20 0.41
MAPK13 O15264 1/20 0.41
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
FLT4 P35916 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL27823252 0.80 PIM1 (0.63) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL4013502 0.79 IDO1 (0.47) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL3339712 0.76 PIM1 (0.64) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL386562 0.74 PIM1 (1.00) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL3327759 0.74 PIM1 (0.58) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL3332894 0.73 PIM1 (0.59) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL28793366 0.72 PIM1 (0.53) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL3330003 0.69 PIM1 (0.54) PIM1CDC7KDM4EHPGDHSD17B10
SCHEMBL7453928 0.68 MAOA (0.49) CDC7KDM4EHPGDALDH1A1GSK3B
SCHEMBL383190 0.66 PIM1 (0.83) PIM1CDC7KDM4EHPGDHSD17B10

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-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO disclosed