SCHEMBL5246604

SCHEMBL5246604

CCOCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(Cl)nc12

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.64
KCNH2 Q12809 3/20 0.62

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
SCHEMBL4039709 0.92 PDE5A (0.74) PDE5AKCNH2
SCHEMBL4459260 0.90 PDE5A (0.63) PDE5AKCNH2
SCHEMBL4043243 0.87 PDE5A (0.67) PDE5AKCNH2
SCHEMBL4043804 0.87 PDE5A (0.51) PDE5AKCNH2
SCHEMBL4472474 0.87 PDE5A (0.60) PDE5AKCNH2
SCHEMBL4043003 0.85 PDE5A (0.53) PDE5AKCNH2
SCHEMBL331573 0.84 PDE5A (0.52) PDE5AKCNH2
SCHEMBL4046514 0.84 PDE5A (0.52) PDE5AKCNH2
SCHEMBL331234 0.84 PDE5A (0.50) PDE5AKCNH2
SCHEMBL8262464 0.84 PDE5A (0.69) 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