SCHEMBL5388028

SCHEMBL5388028

O=c1cc(-c2ccncc2)nc(-c2cccc3ccccc23)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.66
MAPK13 O15264 1/20 0.51
GCGR P47871 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
ALOX5 P09917 1/20 0.46
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
IDO1 P14902 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5378013 0.82 GSK3B (0.68) GSK3BMAPK14CDC7MAPTHPGD
SCHEMBL5381549 0.80 GSK3B (1.00) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL5377580 0.79 GSK3B (0.87) GSK3BCDC7DBF4ALDH1A1MAPT
SCHEMBL801881 0.79 GSK3B (0.63) GSK3BCDC7HPGD
SCHEMBL5388025 0.78 MAPK14 (0.51) GSK3BMAPK13GCGRMAPK12MAPK11
SCHEMBL5396525 0.76 GSK3B (0.71) GSK3BCDC7ALDH1A1MAPTHPGD
SCHEMBL5392045 0.74 GSK3B (0.72) GSK3BMAPK13GCGRMAPK12MAPK11
SCHEMBL5383553 0.74 GSK3B (0.72) GSK3BMAPK14NPC1RAB9AXDH
SCHEMBL7391408 0.74 GSK3B (0.72) GSK3BALOX5CDC7ALDH1A1MAPT
SCHEMBL5376063 0.73 GSK3B (0.76) GSK3BCDC7DBF4ALDH1A1MAPT

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