SCHEMBL4013502

SCHEMBL4013502

CC(C)CCOc1ccccc1-c1cc(-c2ccc3c(c2)[N]C(=O)N3)nc(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
PIM1 P11309 3/20 0.41
XDH P47989 4/20 0.39
CDC7 O00311 8/20 0.38
KDM4E B2RXH2 2/20 0.36
GSK3B P49841 2/20 0.35
CSNK2A1 P68400 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CLK1 P49759 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 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
SCHEMBL384224 0.82 CDC7 (0.54) IDO1PIM1XDHCDC7KDM4E
SCHEMBL3340046 0.81 IDO1 (0.47) IDO1PIM1XDHCDC7KDM4E
SCHEMBL13305003 0.81 CDC7 (0.52) IDO1PIM1XDHCDC7GSK3B
SCHEMBL384910 0.80 PIM1 (0.65) IDO1PIM1XDHCDC7KDM4E
SCHEMBL4019927 0.79 PIM1 (0.59) PIM1CDC7KDM4EGSK3BCSNK2A1
SCHEMBL383352 0.78 PIM1 (0.51) IDO1PIM1XDHCDC7KDM4E
SCHEMBL3345673 0.73 CDC7 (0.46) IDO1PIM1CDC7KDM4EGSK3B
SCHEMBL14023022 0.72 PIM1 (0.55) PIM1XDHCDC7KDM4EGSK3B
SCHEMBL385518 0.71 PIM1 (0.67) PIM1XDHCDC7KDM4EGSK3B
SCHEMBL386224 0.71 PIM1 (0.67) PIM1XDHCDC7KDM4EGSK3B

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