SCHEMBL4018765

SCHEMBL4018765

CCCOCCNC(=O)COc1cccc(-c2cc(-c3ccc(O)c(C)c3)nc(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.52
PIM1 P11309 2/20 0.52
CSNK2A2 P19784 1/20 0.52
CLK1 P49759 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCL12 P48061 1/20 0.37
SLC2A1 P11166 1/20 0.37
SLC2A3 P11169 1/20 0.37
PFKFB3 Q16875 1/20 0.37

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
SCHEMBL3335075 0.93 CDC7 (0.57) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL4011364 0.92 CDC7 (0.53) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3327810 0.91 CDC7 (0.55) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329870 0.90 PIM1 (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3325453 0.90 CDC7 (0.59) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3331200 0.89 CDC7 (0.53) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330676 0.88 CDC7 (0.56) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3334598 0.88 PIM1 (0.53) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3334155 0.87 CDC7 (0.52) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330950 0.87 CDC7 (0.54) 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 2 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 disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed