SCHEMBL5386895

SCHEMBL5386895

CCN(CC)c1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.59
LATS1 O95835 1/20 0.47
LATS2 Q9NRM7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CDC7 O00311 3/20 0.45
ROCK2 O75116 2/20 0.45
MAP4K4 O95819 2/20 0.45
PIM1 P11309 2/20 0.45
PRKACA P17612 2/20 0.45
CDK2 P24941 2/20 0.45
HIPK2 Q9H2X6 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
DYRK3 O43781 1/20 0.44
CDK1 P06493 1/20 0.44
CSF1R P07333 1/20 0.44
MARK3 P27448 1/20 0.44
MAPK1 P28482 1/20 0.44
CSNK1A1 P48729 1/20 0.44

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
SCHEMBL5379886 0.89 GSK3B (0.58) GSK3BLATS1LATS2SMN1; SMN2CDC7
SCHEMBL5384159 0.83 GSK3B (0.64) GSK3BSMN1; SMN2CDC7ROCK2MAP4K4
SCHEMBL5400621 0.81 GSK3B (0.54) GSK3BSMN1; SMN2CDC7ROCK2MAP4K4
SCHEMBL5375166 0.78 GSK3B (0.60) GSK3BLATS1LATS2SMN1; SMN2CDC7
SCHEMBL3854866 0.77 SMN1; SMN2 (0.74) GSK3BSMN1; SMN2CDC7ROCK2MAP4K4
SCHEMBL5386893 0.77 ALOX15 (0.44) GSK3BLATS1LATS2SMN1; SMN2CDC7
SCHEMBL5391514 0.76 GSK3B (0.60) GSK3BSMN1; SMN2CDC7ROCK2MAP4K4
SCHEMBL5380514 0.75 GSK3B (0.84) GSK3BSMN1; SMN2CDC7ROCK2MAP4K4
SCHEMBL5377975 0.74 GSK3B (1.00) GSK3BSMN1; SMN2CDC7ROCK2MAP4K4
SCHEMBL5391771 0.73 GSK3B (0.58) GSK3BSMN1; SMN2CDC7ROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US claimed
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