SCHEMBL1974920

SCHEMBL1974920

CCCOCCn1c(=O)c(N2C[C@@H]3C[C@H]2CN3)nc2cnc(-c3ccc(OC)nc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
KCNH2 Q12809 5/20 0.68
PDE6A P16499 8/20 0.61
PDE4B Q07343 1/20 0.59
PDE4D Q08499 1/20 0.59
PDE11A Q9HCR9 1/20 0.59

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
SCHEMBL1969924 1.00 PDE5A (1.00) PDE5AKCNH2PDE6APDE4BPDE4D
SCHEMBL8376710 0.86 PDE5A (0.76) PDE5AKCNH2PDE6APDE4BPDE4D
SCHEMBL1971307 0.81 PDE5A (1.00) PDE5AKCNH2PDE6APDE11A
SCHEMBL1970051 0.80 PDE5A (0.74) PDE5AKCNH2PDE6APDE4BPDE4D
SCHEMBL1971532 0.80 PDE5A (1.00) PDE5AKCNH2PDE6APDE11A
SCHEMBL1970609 0.80 PDE5A (0.81) PDE5AKCNH2PDE6APDE11A
SCHEMBL8372818 0.79 PDE5A (0.75) PDE5AKCNH2PDE6APDE4BPDE4D
SCHEMBL1969644 0.79 PDE5A (0.72) PDE5AKCNH2PDE6APDE4BPDE4D
SCHEMBL14390803 0.79 PDE5A (0.79) PDE5AKCNH2PDE6APDE4BPDE4D
SCHEMBL1970644 0.78 PDE5A (0.84) 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 1 patent. 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