SCHEMBL8243241

SCHEMBL8243241

CCCOCCn1nc(C)c2nc(N3C[C@@H]4C[C@H]3CN4)nc(Nc3cccc(C)n3)c21

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.60
KCNH2 Q12809 3/20 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
SCHEMBL12768982 0.94 PDE5A (0.68) PDE5AKCNH2
SCHEMBL5247562 0.90 PDE5A (0.57) PDE5AKCNH2
SCHEMBL8241081 0.85 PDE5A (0.55) PDE5AKCNH2
SCHEMBL4041647 0.84 PDE5A (0.66) PDE5AKCNH2
SCHEMBL8240712 0.82 PDE5A (0.57) PDE5AKCNH2
SCHEMBL8243322 0.81 PDE5A (0.58) PDE5AKCNH2
SCHEMBL4218212 0.81 PDE5A (0.68) PDE5AKCNH2
SCHEMBL12768986 0.81 PDE5A (0.68) PDE5AKCNH2
SCHEMBL13805635 0.81 PDE5A (0.68) PDE5AKCNH2
SCHEMBL5245831 0.79 PDE5A (0.60) 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
WO-2007054778-A1 PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)DERIVATIVE USED AS PDE5 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-05-18 WO disclosed