SCHEMBL5386993

SCHEMBL5386993

Cc1ccc(Cc2nc(=O)cc(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
CDC7 O00311 6/20 0.44
GCGR P47871 1/20 0.42
MAPK14 Q16539 1/20 0.42
BTK Q06187 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYMP P19971 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL5390451 0.88 GSK3B (0.45) GSK3BCDC7GCGRMAPK14PDE3B
SCHEMBL5375203 0.88 GSK3B (0.47) GSK3BCDC7GCGRMAPK14
SCHEMBL5376093 0.87 GSK3B (0.63) GSK3BCDC7MAPK14KMT2A
SCHEMBL5381458 0.87 CYP17A1 (0.47) GSK3BCDC7GCGRMAPK14RAB9A
SCHEMBL5382469 0.86 GSK3B (0.49) GSK3BCDC7GCGRRAB9ANPC1
SCHEMBL5390690 0.85 GSK3B (0.48) GSK3BCDC7MAPK14KDM4EMEN1
SCHEMBL5386907 0.83 GSK3B (0.48) GSK3BCDC7RAB9ANPC1LMNA
SCHEMBL5376071 0.81 GSK3B (0.49) GSK3BCDC7
SCHEMBL5399975 0.81 CDC7 (0.48) GSK3BCDC7GCGRMAPK14PDE3B
SCHEMBL5380263 0.80 GSK3B (0.48) GSK3BCDC7KMT2A

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
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP 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