SCHEMBL5249684

SCHEMBL5249684

CCOCCn1nc(CC)c2nc(N3CCNCC3)nc(Nc3cccc(C)n3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
KCNH2 Q12809 2/20 0.70

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
SCHEMBL5245696 0.92 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5246996 0.91 PDE5A (0.84) PDE5AKCNH2
SCHEMBL4462678 0.91 PDE5A (0.84) PDE5AKCNH2
SCHEMBL5244304 0.89 PDE5A (0.81) PDE5AKCNH2
SCHEMBL5244564 0.89 PDE5A (1.00) PDE5AKCNH2
SCHEMBL8261975 0.88 PDE5A (0.79) PDE5AKCNH2
SCHEMBL5248955 0.87 PDE5A (0.78) PDE5AKCNH2
SCHEMBL5245659 0.87 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5243811 0.87 PDE5A (0.77) PDE5AKCNH2
SCHEMBL5246881 0.86 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 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