SCHEMBL5386254

SCHEMBL5386254

CCCCc1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 1.00
GPR84 Q9NQS5 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
XDH P47989 2/20 0.48
CDC7 O00311 2/20 0.44
ROCK2 O75116 2/20 0.44
MAP4K4 O95819 2/20 0.44
PIM1 P11309 2/20 0.44
PRKACA P17612 2/20 0.44
CDK2 P24941 2/20 0.44
HIPK2 Q9H2X6 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
DYRK3 O43781 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
MARK3 P27448 1/20 0.43
MAPK1 P28482 1/20 0.43
CSNK1A1 P48729 1/20 0.43

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
SCHEMBL5381263 0.96 GSK3B (0.92) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5376006 0.94 GSK3B (0.90) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5400097 0.94 GSK3B (0.90) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5381276 0.94 GSK3B (0.90) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5380514 0.91 GSK3B (0.84) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5382475 0.87 GSK3B (0.77) GSK3BGPR84SMN1; SMN2XDH
SCHEMBL3854866 0.85 SMN1; SMN2 (0.74) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5387930 0.82 GSK3B (1.00) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5390457 0.81 GSK3B (0.72) GSK3BGPR84SMN1; SMN2XDHCDC7
SCHEMBL5390685 0.79 GSK3B (1.00) GSK3BSMN1; SMN2XDHCDC7

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