SCHEMBL5383544

SCHEMBL5383544

N#Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.68
PKN1 Q16512 1/20 0.53
PKN2 Q16513 1/20 0.53
MAPK14 Q16539 3/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
RAF1 P04049 1/20 0.52
ALOX5 P09917 1/20 0.51
GCGR P47871 1/20 0.51
PTGES O14684 1/20 0.46
XDH P47989 1/20 0.45
IDO1 P14902 1/20 0.44
RHEB Q15382 1/20 0.44
CDC7 O00311 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 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
SCHEMBL5377580 0.87 GSK3B (0.87) GSK3BXDHCDC7DYRK3ROCK2
SCHEMBL5388178 0.85 GSK3B (0.67) GSK3BPKN1PKN2MAPK14MAPK13
SCHEMBL5380875 0.82 GSK3B (0.75) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5384096 0.81 GSK3B (0.73) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL7395693 0.81 GSK3B (0.73) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5400000 0.81 GSK3B (0.73) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5380569 0.81 GSK3B (0.73) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5381549 0.81 GSK3B (1.00) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL7397401 0.78 GSK3B (0.68) GSK3BALOX5XDHCDC7DYRK3
SCHEMBL5383543 0.78 PKN1 (0.53) GSK3BPKN1PKN2MAPK14MAPK13

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