SCHEMBL5383563

SCHEMBL5383563

O=c1cc(-c2ccncc2)nc(Cc2ccccn2)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.70
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ASIC3 Q9UHC3 1/20 0.45
CDC7 O00311 2/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
CDK2 P24941 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5376095 0.82 GSK3B (1.00) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5380266 0.79 GSK3B (0.74) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5383560 0.79 KDM4E (0.44) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5380262 0.79 GSK3B (0.70) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5386910 0.78 GSK3B (0.76) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5386533 0.77 GSK3B (0.83) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5376074 0.76 GSK3B (0.78) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5382594 0.76 GSK3B (0.66) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL23843555 0.76 ASIC3 (0.52) GSK3BSMN1; SMN2MEN1KMT2AASIC3
SCHEMBL3854866 0.76 SMN1; SMN2 (0.74) GSK3BSMN1; SMN2MEN1KMT2ACDC7

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