SCHEMBL5375436

SCHEMBL5375436

CCc1cc(-c2cc(=O)nc(CCCc3ccccc3)[nH]2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.48
MAPKAPK2 P49137 2/20 0.43
HCAR2 Q8TDS4 4/20 0.41
DAO P14920 1/20 0.39
GPR84 Q9NQS5 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
BRS3 P32247 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 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
SCHEMBL5383591 0.84 GSK3B (0.50) GSK3BMAPKAPK2HCAR2DAOGPR84
SCHEMBL5382154 0.83 GSK3B (0.47) GSK3BMAPKAPK2HCAR2DAO
SCHEMBL5375440 0.82 GSK3B (0.69) GSK3BHCAR2GPR84
SCHEMBL5387928 0.82 GSK3B (0.65) GSK3BHCAR2DAO
SCHEMBL5386067 0.76 GSK3B (0.51) GSK3BHCAR2DAOCDK5CDK5R1
SCHEMBL5390682 0.74 GSK3B (0.64) GSK3BDAO
SCHEMBL25403779 0.73 NOS3 (0.44)
SCHEMBL5386248 0.71 GSK3B (0.63) GSK3BMAPKAPK2GPR84CTSVCTSL
SCHEMBL5390574 0.70 GSK3B (0.49) GSK3BHCAR2DAO
SCHEMBL5381257 0.70 GSK3B (0.58) GSK3BGPR84CTSVCTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed