SCHEMBL5328489

SCHEMBL5328489

CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccc(C)cc3)nc(N(C)C3CCN(C)CC3)nc12

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.74
KCNH2 Q12809 2/20 0.47

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
SCHEMBL8263376 0.94 PDE5A (0.74) PDE5AKCNH2
SCHEMBL5330365 0.88 PDE5A (0.86) PDE5AKCNH2
SCHEMBL4036220 0.85 PDE5A (0.79) PDE5AKCNH2
SCHEMBL5329121 0.85 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5247295 0.78 PDE5A (0.88) PDE5AKCNH2
SCHEMBL5245112 0.78 PDE5A (0.80) PDE5AKCNH2
SCHEMBL12768825 0.77 PDE5A (0.73) PDE5AKCNH2
SCHEMBL4035944 0.77 PDE5A (0.73) PDE5AKCNH2
SCHEMBL4039205 0.77 PDE5A (0.86) PDE5AKCNH2
SCHEMBL4038559 0.76 PDE5A (0.66) 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