SCHEMBL5452668

SCHEMBL5452668

CCOCCn1nc(CC)c2nc(N3CCNCC3)nc(Nc3cccc(F)c3)c21

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
KCNH2 Q12809 1/20 0.57

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
SCHEMBL5246419 0.92 PDE5A (0.68) PDE5AKCNH2
SCHEMBL8263403 0.90 PDE5A (0.69) PDE5AKCNH2
SCHEMBL5245659 0.90 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5245631 0.89 PDE5A (0.80) PDE5AKCNH2
SCHEMBL5246814 0.89 PDE5A (0.68) PDE5AKCNH2
SCHEMBL5248654 0.87 PDE5A (0.79) PDE5AKCNH2
SCHEMBL5249684 0.84 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5246208 0.83 PDE5A (0.69) PDE5AKCNH2
SCHEMBL5247073 0.82 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5245417 0.82 PDE5A (0.76) 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 3 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
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed