SCHEMBL3854866

SCHEMBL3854866

CCc1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.74
GSK3B P49841 10/20 0.74
CDC7 O00311 3/20 0.48
ROCK2 O75116 2/20 0.48
MAP4K4 O95819 2/20 0.48
PIM1 P11309 2/20 0.48
PRKACA P17612 2/20 0.48
CDK2 P24941 2/20 0.48
HIPK2 Q9H2X6 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
DYRK3 O43781 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
MARK3 P27448 1/20 0.47
MAPK1 P28482 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL5380514 0.88 GSK3B (0.84) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5659777 0.85 SMN1; SMN2 (1.00) SMN1; SMN2GSK3BMEN1KMT2AXDH
SCHEMBL5386254 0.85 GSK3B (1.00) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5381263 0.84 GSK3B (0.92) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5386572 0.83 GSK3B (1.00) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5381276 0.83 GSK3B (0.90) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5400097 0.83 GSK3B (0.90) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5376006 0.83 GSK3B (0.90) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5386996 0.81 GSK3B (0.78) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL5390457 0.81 GSK3B (0.72) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4

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
EP-2033963-A1 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives Sanofi-Aventis (FR) 2009-03-11 EP disclosed
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