SCHEMBL5382154

SCHEMBL5382154

COc1cc(-c2cc(=O)nc(CCCc3ccccc3)[nH]2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.47
PLA2G7 Q13093 1/20 0.43
IDO1 P14902 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
HCAR2 Q8TDS4 4/20 0.41
MAPKAPK2 P49137 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
DAO P14920 1/20 0.38
WNT3A P56704 1/20 0.37
BUB1 O43683 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36

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
SCHEMBL5375436 0.83 GSK3B (0.48) GSK3BHCAR2MAPKAPK2DAO
SCHEMBL5383591 0.83 GSK3B (0.50) GSK3BIDO1HCAR2MAPKAPK2DAO
SCHEMBL5382157 0.83 GSK3B (0.68) GSK3BPLA2G7IDO1AAK1HCAR2
SCHEMBL5387928 0.81 GSK3B (0.65) GSK3BHCAR2DAO
SCHEMBL5386067 0.76 GSK3B (0.51) GSK3BHCAR2DAO
SCHEMBL5390682 0.74 GSK3B (0.64) GSK3BDAO
SCHEMBL5375235 0.72 IDO1 (0.49) GSK3BIDO1AAK1PKN1PKN2
SCHEMBL29583756 0.71 RAB9A (0.57) GSK3BIDO1AAK1PKN1PKN2
SCHEMBL4764744 0.69 KDM4E (0.52) IDO1ADORA2AADORA1PKN1PKN2
SCHEMBL5390574 0.69 GSK3B (0.49) GSK3BHCAR2DAO

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 3 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-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