SCHEMBL5380266

SCHEMBL5380266

Cc1ccccc1Cc1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.74
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.51
XDH P47989 1/20 0.45
CDC7 O00311 2/20 0.44
AKT1 P31749 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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 0.85 GSK3B (1.00) GSK3BKMT2ASMN1; SMN2MEN1XDH
SCHEMBL5380262 0.84 GSK3B (0.70) GSK3BKMT2ASMN1; SMN2MEN1CDC7
SCHEMBL5386996 0.81 GSK3B (0.78) GSK3BKMT2ASMN1; SMN2MEN1XDH
SCHEMBL5380263 0.81 GSK3B (0.48) GSK3BKMT2ACDC7
SCHEMBL5390697 0.81 GSK3B (0.76) GSK3BKMT2ASMN1; SMN2MEN1XDH
SCHEMBL5386910 0.81 GSK3B (0.76) GSK3BKMT2ASMN1; SMN2MEN1XDH
SCHEMBL5386533 0.80 GSK3B (0.83) GSK3BKMT2ASMN1; SMN2MEN1XDH
SCHEMBL5383563 0.79 GSK3B (0.70) GSK3BKMT2ASMN1; SMN2MEN1CDC7
SCHEMBL5376074 0.79 GSK3B (0.78) GSK3BKMT2ASMN1; SMN2MEN1XDH
SCHEMBL3854866 0.79 SMN1; SMN2 (0.74) GSK3BKMT2ASMN1; SMN2MEN1XDH

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