SCHEMBL5244271

SCHEMBL5244271

O=C(O)[C@H]1CCN(c2nc(Nc3ccncn3)c3c(cnn3CCOCC(F)(F)F)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.55
KCNH2 Q12809 5/20 0.55

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
SCHEMBL5245416 0.96 PDE5A (0.53) PDE5AKCNH2
SCHEMBL5247029 0.93 PDE5A (0.54) PDE5AKCNH2
SCHEMBL5247942 0.90 PDE5A (0.51) PDE5AKCNH2
SCHEMBL5245391 0.88 PDE5A (0.46) PDE5AKCNH2
SCHEMBL5247140 0.87 PDE5A (0.49) PDE5AKCNH2
SCHEMBL5245602 0.87 PDE5A (0.49) PDE5AKCNH2
SCHEMBL5244083 0.87 PDE5A (0.51) PDE5AKCNH2
SCHEMBL5245851 0.87 PDE5A (0.51) PDE5AKCNH2
SCHEMBL5247705 0.85 PDE5A (0.44) PDE5AKCNH2
SCHEMBL5245618 0.84 PDE5A (0.75) 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