SCHEMBL5400563

SCHEMBL5400563

O=c1cc(-c2ccncc2)[nH]c(CCC(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.48
CDC7 O00311 1/20 0.46
GSK3B P49841 3/20 0.44
HTR1B P28222 2/20 0.43
HRH1 P35367 1/20 0.43
MTOR P42345 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL5390682 0.83 GSK3B (0.64) PDE10ACDC7GSK3B
SCHEMBL5387928 0.81 GSK3B (0.65) PDE10ACDC7GSK3B
SCHEMBL5400567 0.80 GSK3B (0.70) CDC7GSK3BHTR1BHRH1
SCHEMBL5375269 0.79 CDC7 (0.43) PDE10ACDC7GSK3BHTR1BMTOR
SCHEMBL5376093 0.79 GSK3B (0.63) PDE10ACDC7GSK3B
SCHEMBL5380512 0.78 GSK3B (0.51) PDE10ACDC7GSK3B
SCHEMBL5386248 0.76 GSK3B (0.63) PDE10ACDC7GSK3B
SCHEMBL5399975 0.75 CDC7 (0.48) CDC7GSK3B
SCHEMBL5381257 0.75 GSK3B (0.58) CDC7GSK3B
SCHEMBL5386570 0.74 GSK3B (0.62) PDE10ACDC7GSK3B

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 2 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