SCHEMBL5247191

SCHEMBL5247191

Cc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCCC(CO)C3)nc12

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.75
KCNH2 Q12809 4/20 0.74

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
SCHEMBL5249539 0.92 PDE5A (0.75) PDE5AKCNH2
SCHEMBL5245545 0.91 PDE5A (0.76) PDE5AKCNH2
SCHEMBL5246230 0.89 PDE5A (0.72) PDE5AKCNH2
SCHEMBL5244359 0.89 PDE5A (0.72) PDE5AKCNH2
SCHEMBL5244338 0.87 PDE5A (0.77) PDE5AKCNH2
SCHEMBL5244211 0.87 PDE5A (0.77) PDE5AKCNH2
SCHEMBL5244344 0.85 PDE5A (0.73) PDE5AKCNH2
SCHEMBL4039815 0.85 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5248379 0.83 PDE5A (0.85) PDE5AKCNH2
SCHEMBL5252644 0.83 PDE5A (0.85) 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