SCHEMBL5388178

SCHEMBL5388178

N#Cc1cccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.67
XDH P47989 1/20 0.61
PIN1 Q13526 1/20 0.48
CDC7 O00311 2/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
TYMP P19971 1/20 0.45
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
GRM5 P41594 1/20 0.43
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL5383544 0.85 GSK3B (0.68) GSK3BXDHCDC7PKN1PKN2
SCHEMBL5381549 0.81 GSK3B (1.00) GSK3BXDHCDC7MAPK14MAPK13
SCHEMBL5377580 0.80 GSK3B (0.87) GSK3BXDHCDC7CLK4
SCHEMBL5383553 0.80 GSK3B (0.72) GSK3BXDHMAPK14
SCHEMBL7391408 0.80 GSK3B (0.72) GSK3BXDHCDC7
SCHEMBL5392045 0.80 GSK3B (0.72) GSK3BXDHCDC7MAPK14MAPK13
SCHEMBL5388174 0.80 CDC7 (0.56) XDHPIN1CDC7PKN1PKN2
SCHEMBL5391583 0.77 GSK3B (0.67) GSK3BPIN1CDC7MAPK14MAPK13
SCHEMBL5376063 0.77 GSK3B (0.76) GSK3BCDC7
SCHEMBL2881243 0.76 XDH (1.00) XDH

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
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed