SCHEMBL5375166

SCHEMBL5375166

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.60
XDH P47989 3/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CDC7 O00311 3/20 0.42
ROCK2 O75116 2/20 0.42
MAP4K4 O95819 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
CDK2 P24941 2/20 0.42
HIPK2 Q9H2X6 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
DYRK3 O43781 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL5384159 0.82 GSK3B (0.64) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL5391514 0.80 GSK3B (0.60) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL5387918 0.79 GSK3B (0.41) GSK3BCDC7
SCHEMBL5386895 0.78 GSK3B (0.59) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL5379886 0.76 GSK3B (0.58) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL5386572 0.75 GSK3B (1.00) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL5377691 0.73 GSK3B (1.00) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL5400621 0.72 GSK3B (0.54) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL5377975 0.70 GSK3B (1.00) GSK3BXDHCDC7ROCK2MAP4K4
SCHEMBL3854866 0.70 SMN1; SMN2 (0.74) GSK3BXDHCDC7ROCK2MAP4K4

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 9 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
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP claimed
CN-1328552-A Pyrimidone derivatives MITSUBISHI CHEM CORP (JP) 2001-12-26 CN claimed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP claimed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO 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