SCHEMBL5249754

SCHEMBL5249754

CCOCCn1nc(COCC)c2nc(N3CCNC(C)C3)nc(Nc3cccc(CC)n3)c21

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.67
KCNH2 Q12809 2/20 0.58

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
SCHEMBL5249750 1.00 PDE5A (0.67) PDE5AKCNH2
SCHEMBL8263392 0.95 PDE5A (0.65) PDE5AKCNH2
SCHEMBL8302976 0.92 PDE5A (0.73) PDE5AKCNH2
SCHEMBL5243782 0.89 PDE5A (0.72) PDE5AKCNH2
SCHEMBL5244304 0.88 PDE5A (0.81) PDE5AKCNH2
SCHEMBL4035991 0.87 PDE5A (0.71) PDE5AKCNH2
SCHEMBL8243539 0.86 PDE5A (0.73) PDE5AKCNH2
SCHEMBL4036001 0.86 PDE5A (0.73) PDE5AKCNH2
SCHEMBL14388421 0.85 PDE5A (0.72) PDE5AKCNH2
SCHEMBL8262356 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