SCHEMBL5378013

SCHEMBL5378013

Cc1ccccc1-c1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.68
TEK Q02763 1/20 0.47
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC7 O00311 1/20 0.46
KMT2A Q03164 1/20 0.44
XDH P47989 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5388028 0.82 GSK3B (0.66) GSK3BMAPK14KDM4EHPGDHSD17B10
SCHEMBL5381549 0.81 GSK3B (1.00) GSK3BMAPK14HPGDHSD17B10CDC7
SCHEMBL5377580 0.80 GSK3B (0.87) GSK3BHPGDHSD17B10CDC7XDH
SCHEMBL801881 0.80 GSK3B (0.63) GSK3BTEKHPGDCDC7
SCHEMBL5380569 0.78 GSK3B (0.73) GSK3BMAPK14KDM4ECDC7KMT2A
SCHEMBL5383553 0.78 GSK3B (0.72) GSK3BMAPK14KMT2AXDH
SCHEMBL5378011 0.78 TEK (0.47) TEKMAPK14HPGDCDC7SMN1; SMN2
SCHEMBL5396525 0.77 GSK3B (0.71) GSK3BKDM4EHPGDCDC7KMT2A
SCHEMBL5380266 0.76 GSK3B (0.74) GSK3BCDC7KMT2AXDHSMN1; SMN2
SCHEMBL5377975 0.76 GSK3B (1.00) GSK3BCDC7XDHSMN1; SMN2

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 8 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
CN-1328552-A Pyrimidone derivatives MITSUBISHI CHEM CORP (JP) 2001-12-26 CN claimed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP claimed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO 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