SCHEMBL5385544

SCHEMBL5385544

O=c1cc(-c2cnccc2Cl)nc(-c2ccccc2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.64
CDC7 O00311 1/20 0.55
DBF4 Q9UBU7 1/20 0.55
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
PTGES O14684 2/20 0.48
MAPK13 O15264 3/20 0.46
RAF1 P04049 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4C Q9H3R0 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.42
XDH P47989 1/20 0.41

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
SCHEMBL5384455 0.80 GSK3B (0.75) GSK3BCDC7DBF4GAAMAPT
SCHEMBL14935666 0.79 GSK3B (0.73) GSK3BCDC7DBF4GAAMAPT
SCHEMBL5385542 0.79 RAF1 (0.46) GSK3BCDC7GAAMAPTPTGES
SCHEMBL5381549 0.79 GSK3B (1.00) GSK3BCDC7DBF4GAAMAPT
SCHEMBL4822785 0.76 GSK3B (0.84) GSK3BCDC7DBF4GAAMAPT
SCHEMBL5381426 0.76 GSK3B (0.78) GSK3BCDC7DBF4GAAMAPT
SCHEMBL5390578 0.76 GSK3B (0.67) GSK3BKMT2AMEN1
SCHEMBL29310490 0.74 GSK3B (0.79) GSK3BCDC7DBF4GAAMAPT
SCHEMBL31074768 0.72 MEN1 (0.49) MAPTKMT2AHPGDL3MBTL1MEN1
SCHEMBL5376063 0.72 GSK3B (0.76) GSK3BCDC7DBF4MAPTKMT2A

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