SCHEMBL5246196

SCHEMBL5246196

CCOCCn1nc(COC)c2nc(Cl)nc(Nc3cc(C)cc(C)n3)c21

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.47
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5244971 0.94 PDE5A (0.48) PDE5AKCNH2
SCHEMBL8261153 0.92 PDE5A (0.55) PDE5AKCNH2
SCHEMBL4037911 0.87 PDE5A (0.62) PDE5AKCNH2
SCHEMBL4039971 0.87 PDE5A (0.60) PDE5AKCNH2
SCHEMBL4036325 0.81 PDE5A (0.64) PDE5AKCNH2
SCHEMBL4038006 0.81 PDE5A (0.62) PDE5AKCNH2
SCHEMBL4036335 0.81 PDE5A (0.55) PDE5AKCNH2
SCHEMBL5247829 0.81 PDE5A (0.51) PDE5A
SCHEMBL4043804 0.81 PDE5A (0.51) PDE5AKCNH2
SCHEMBL8261393 0.80 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 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