SCHEMBL5753357

SCHEMBL5753357

COc1cc(-c2nc3c(c(C4CCCCC4)nn3C)c(=O)[nH]2)cnc1S(=O)(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 16/20 0.59
PDE7B Q9NP56 3/20 0.38
PDE5A O76074 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
CDKN1A P38936 1/20 0.35
MAP3K11 Q16584 1/20 0.35

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
SCHEMBL5229305 0.80 PDE7A (0.75) PDE7APDE7B
SCHEMBL5753361 0.80 PDE5A (0.39) PDE7APDE5A
SCHEMBL5230233 0.80 PDE7A (0.55) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5234150 0.76 PDE7A (0.71) PDE7APDE7BPDE5A
SCHEMBL1812116 0.76 PDE7A (0.63) PDE7APDE7BPDE5A
SCHEMBL5231531 0.75 PDE7A (0.76) PDE7APDE7BPDE5APDE1APDE1B
SCHEMBL5230067 0.75 PDE7A (0.81) PDE7APDE7B
SCHEMBL5237929 0.74 PDE7A (0.60) PDE7APDE5A
SCHEMBL5231143 0.74 PDE7A (0.80) PDE7APDE7B
SCHEMBL5231499 0.74 PDE7A (1.00) PDE7APDE7BPDE5A

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
EP-1636235-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS Daiichi Asubio Pharma Co., Ltd. (JP) 2006-03-22 EP disclosed
WO-2004111054-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS DAIICHI ASUBIO PHARMA CO.,LTD. (JP) 2004-12-23 WO disclosed