SCHEMBL5380552

SCHEMBL5380552

O=c1cc(-c2ccncc2)[nH]c(NCc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.53
RECQL P46063 1/20 0.51
FABP4 P15090 1/20 0.48
CDC7 O00311 4/20 0.47
ROCK2 O75116 3/20 0.47
GSK3B P49841 3/20 0.47
MAP4K4 O95819 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7989847 0.87 CDC7 (0.43) XDHRECQLFABP4CDC7ROCK2
SCHEMBL7993806 0.85 FABP1 (0.45) XDHRECQLFABP4CDC7ROCK2
SCHEMBL7996305 0.83 CDC7 (0.45) CDC7KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7991079 0.83 ALOX5 (0.41) XDHRECQLFABP4CDC7ROCK2
SCHEMBL7992999 0.81 CDC7 (0.40) XDHFABP4CDC7ROCK2GSK3B
SCHEMBL7993164 0.80 ROCK2 (0.42) CDC7ROCK2GSK3BMAP4K4CLK4
SCHEMBL5375269 0.80 CDC7 (0.43) CDC7GSK3BCDK2HPGDLMNA
SCHEMBL7989732 0.80 GAA (0.52) CDC7ROCK2GSK3BMAP4K4CLK4
SCHEMBL7990975 0.80 HSD17B10 (0.49) CDC7ROCK2CLK4MEN1ALDH1A1
SCHEMBL7990740 0.80 ROCK2 (0.40) XDHFABP4CDC7ROCK2GSK3B

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