SCHEMBL4011364

SCHEMBL4011364

CCCOCCNC(=O)COc1ccc(-c2cc(-c3ccc(O)c(C)c3)nc(=O)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.53
PIM1 P11309 2/20 0.53
CSNK2A2 P19784 1/20 0.53
CLK1 P49759 1/20 0.53
GSK3B P49841 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
CXCL12 P48061 1/20 0.41
ADORA2B P29275 7/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 3/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ADORA2A P29274 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NCF1 P14598 1/20 0.38
CYP3A4 P08684 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
SCHEMBL3334920 0.92 CDC7 (0.58) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL4018765 0.92 CDC7 (0.52) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3328062 0.90 PIM1 (0.56) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3332263 0.90 CDC7 (0.56) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3331277 0.90 PIM1 (0.55) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329022 0.89 CDC7 (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3331548 0.89 CDC7 (0.62) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329763 0.88 CDC7 (0.57) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3325796 0.87 PIM1 (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329414 0.86 PIM1 (0.53) CDC7PIM1CSNK2A2CLK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP claimed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO claimed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed