SCHEMBL12583685

SCHEMBL12583685

CCCOCCn1c(=O)c(N2CCN([C@@H](C)CO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.84
KCNH2 Q12809 5/20 0.84
PDE6A P16499 9/20 0.68

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
SCHEMBL1970594 0.92 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1970899 0.92 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1970610 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1971462 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1970611 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
Pf-03049423 SCHEMBL29766850 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
Pf-03049423 SCHEMBL1969224 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
Pf-03049423 SCHEMBL29357029 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1973153 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1970001 0.87 PDE5A (0.78) PDE5AKCNH2PDE6A

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-2013208-B1 PYRIDIN[3,4-B]PYRAZINONES PFIZER PROD INC (US) 2011-06-22 EP disclosed
WO-2007122466-A1 PYRIDINE[3,4-B]PYRAZINONES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed