SCHEMBL13770645

SCHEMBL13770645

Cc1ccnc(Nc2nc(N3C[C@@H]4C[C@H]3CN4)nc3c(C)nn(CCOCC(C)(F)F)c23)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.62
KCNH2 Q12809 3/20 0.50

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
SCHEMBL5426232 0.95 PDE5A (0.69) PDE5AKCNH2
SCHEMBL14357609 0.95 PDE5A (0.69) PDE5AKCNH2
SCHEMBL4218212 0.90 PDE5A (0.68) PDE5AKCNH2
SCHEMBL13805635 0.90 PDE5A (0.68) PDE5AKCNH2
SCHEMBL12768986 0.90 PDE5A (0.68) PDE5AKCNH2
SCHEMBL8301098 0.84 PDE5A (0.67) PDE5AKCNH2
SCHEMBL4038540 0.83 PDE5A (0.70) PDE5AKCNH2
SCHEMBL4133522 0.83 PDE5A (0.70) PDE5AKCNH2
SCHEMBL4040573 0.83 PDE5A (0.70) PDE5AKCNH2
Hydrochloric Acid SCHEMBL5430308 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948661-B1 PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)DERIVATIVE USED AS PDE5 INHIBITORS PFIZER PROD INC (US) 2009-07-08 EP disclosed