SCHEMBL14023056

SCHEMBL14023056

C=Cc1n[nH]c2ccc(-c3cc(-c4ccccc4OCC(C)C)[nH]c(=O)n3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.41
CDC7 O00311 7/20 0.40
XDH P47989 5/20 0.38
GSK3B P49841 2/20 0.37
CSNK2A1 P68400 2/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
FGFR1 P11362 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
FLT4 P35916 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
CLK2 P49760 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
SCHEMBL3339626 0.88 XDH (0.44) PIM1CDC7XDHGSK3BCSNK2A1
SCHEMBL3342410 0.85 CDC7 (0.41) PIM1CDC7XDHGSK3BCSNK2A1
SCHEMBL3337518 0.82 CDC7 (0.40) PIM1CDC7XDHGSK3BCSNK2A1
SCHEMBL3340028 0.82 CDC7 (0.45) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL3341849 0.82 CDC7 (0.40) PIM1CDC7XDHGSK3BCSNK2A1
SCHEMBL3339497 0.81 GSK3B (0.45) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL3345741 0.80 CDC7 (0.45) PIM1CDC7XDHGSK3BCSNK2A1
SCHEMBL3342143 0.80 CDC7 (0.41) PIM1CDC7DAPK3ROCK2PRKD3
SCHEMBL14023052 0.80 CDC7 (0.40) PIM1CDC7XDHGSK3BCSNK2A1
SCHEMBL3338635 0.80 CDC7 (0.40) PIM1CDC7XDHGSK3BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO disclosed