SCHEMBL5386069

SCHEMBL5386069

O=c1cc(-c2ccccn2)nc(CCCc2ccccc2)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.69
HCAR2 Q8TDS4 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DAO P14920 1/20 0.45
GPR84 Q9NQS5 5/20 0.44
BACE1 P56817 1/20 0.44
CES1 P23141 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
SCHEMBL5387930 0.82 GSK3B (1.00) GSK3BSMN1; SMN2GPR84
SCHEMBL5386067 0.81 GSK3B (0.51) GSK3BHCAR2SMN1; SMN2NPC1RAB9A
SCHEMBL5383593 0.79 GSK3B (0.72) GSK3BHCAR2SMN1; SMN2DAOGPR84
SCHEMBL5382157 0.79 GSK3B (0.68) GSK3BHCAR2SMN1; SMN2GPR84
SCHEMBL5375440 0.77 GSK3B (0.69) GSK3BHCAR2SMN1; SMN2GPR84BACE1
SCHEMBL5390578 0.76 GSK3B (0.67) GSK3BHCAR2SMN1; SMN2DAOGPR84
SCHEMBL5390685 0.73 GSK3B (1.00) GSK3BSMN1; SMN2BACE1
SCHEMBL13611987 0.72 LMNA (0.54) GSK3BSMN1; SMN2NPC1RAB9A
SCHEMBL5390774 0.72 GSK3B (0.66) GSK3BSMN1; SMN2NPC1RAB9A
SCHEMBL10838015 0.68 NPC1 (0.49) GSK3BSMN1; SMN2NPC1RAB9A

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