SCHEMBL5246186

SCHEMBL5246186

CCOCCn1nc(COC)c2nc(N3C[C@@H]4C[C@H]3CN4)nc(Nc3ccccn3)c21

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.59
KCNH2 Q12809 1/20 0.46

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
SCHEMBL5245831 0.92 PDE5A (0.60) PDE5AKCNH2
SCHEMBL4037727 0.91 PDE5A (0.62) PDE5AKCNH2
SCHEMBL8263410 0.87 PDE5A (0.54) PDE5AKCNH2
SCHEMBL8301267 0.86 PDE5A (0.63) PDE5AKCNH2
SCHEMBL5422337 0.85 PDE5A (0.56) PDE5AKCNH2
SCHEMBL5244193 0.84 PDE5A (0.53) PDE5AKCNH2
SCHEMBL12768975 0.84 PDE5A (0.63) PDE5AKCNH2
SCHEMBL4133522 0.84 PDE5A (0.70) PDE5AKCNH2
SCHEMBL4038540 0.84 PDE5A (0.70) PDE5AKCNH2
SCHEMBL4040573 0.84 PDE5A (0.70) PDE5AKCNH2

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-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 EP claimed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO claimed