SCHEMBL5380557

SCHEMBL5380557

O=c1cc(-c2ccncc2)nc(NCc2ccccc2)[nH]1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.85
GSK3B P49841 7/20 0.73
CDC7 O00311 4/20 0.73
ROCK2 O75116 2/20 0.73
MAP4K4 O95819 2/20 0.73
PIM1 P11309 2/20 0.73
PRKACA P17612 2/20 0.73
CDK2 P24941 2/20 0.73
HIPK2 Q9H2X6 2/20 0.73
CLK4 Q9HAZ1 2/20 0.73
MKNK2 Q9HBH9 2/20 0.73
IRAK4 Q9NWZ3 2/20 0.73
MAPK1 P28482 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
HTT P42858 1/20 0.70
KMT2A Q03164 1/20 0.70
HSD17B10 Q99714 1/20 0.70
RECQL P46063 1/20 0.61

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
SCHEMBL7992963 0.93 GSK3B (0.79) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL5375274 0.80 XDH (0.55) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL5383599 0.80 ADORA2A (0.62) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL5380552 0.79 XDH (0.53) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL1843877 0.77 PDE5A (0.53) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL5376095 0.77 GSK3B (1.00) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL5390251 0.76 GSK3B (0.59) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL10840696 0.76 GSK3B (0.60) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL7990637 0.76 GSK3B (0.53) XDHGSK3BCDC7ROCK2MAP4K4
SCHEMBL5390685 0.76 GSK3B (1.00) XDHGSK3BCDC7MEN1KMT2A

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