SCHEMBL5246191

SCHEMBL5246191

CCOCCn1nc(C(C)C)c2nc(N3CCNCC3)nc(Nc3ccc(C)cn3)c21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.79
KCNH2 Q12809 1/20 0.51

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
SCHEMBL5245615 0.97 PDE5A (0.75) PDE5AKCNH2
SCHEMBL4044995 0.92 PDE5A (0.67) PDE5AKCNH2
SCHEMBL5243951 0.91 PDE5A (0.66) PDE5AKCNH2
SCHEMBL5245560 0.90 PDE5A (0.84) PDE5AKCNH2
SCHEMBL5244221 0.90 PDE5A (0.65) PDE5AKCNH2
SCHEMBL5245704 0.90 PDE5A (0.65) PDE5AKCNH2
SCHEMBL5245444 0.89 PDE5A (0.63) PDE5AKCNH2
SCHEMBL5247065 0.89 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5245559 0.88 PDE5A (0.80) PDE5AKCNH2
SCHEMBL5244315 0.87 PDE5A (0.79) 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 disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed