SCHEMBL5330857

SCHEMBL5330857

CCOCCn1nc(CC)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)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 0.85

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
SCHEMBL5329600 0.92 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5327626 0.90 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5324324 0.89 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5244243 0.89 PDE5A (0.80) PDE5AKCNH2
SCHEMBL5324883 0.89 PDE5A (0.87) PDE5AKCNH2
SCHEMBL5247503 0.87 PDE5A (0.84) PDE5AKCNH2
SCHEMBL5331297 0.86 PDE5A (0.76) PDE5AKCNH2
SCHEMBL5245627 0.83 PDE5A (1.00) PDE5AKCNH2
SCHEMBL13815834 0.82 PDE5A (0.75) PDE5AKCNH2
SCHEMBL1527784 0.81 PDE5A (0.72) 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