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SCHEMBL5814767

SCHEMBL5814767

CCCOCCn1c(=O)c(N[C@@H](C)CO)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
▸ PDE6A P16499 20/20 1.00
▸ KCNH2 Q12809 1/20 0.72
▸ PDE4B Q07343 1/20 0.71
▸ PDE4D Q08499 1/20 0.71
▸ PDE11A Q9HCR9 1/20 0.71

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
SCHEMBL5814375 1.00 PDE5A (1.00) PDE5APDE6AKCNH2PDE4BPDE4D
SCHEMBL8246075 0.92 PDE5A (0.84) PDE5APDE6AKCNH2PDE4BPDE4D
SCHEMBL5821636 0.91 PDE5A (1.00) PDE5APDE6AKCNH2PDE4BPDE4D
SCHEMBL5813676 0.91 PDE5A (1.00) PDE5APDE6AKCNH2PDE4BPDE4D
SCHEMBL8247795 0.90 PDE5A (0.81) PDE5APDE6AKCNH2PDE11A
SCHEMBL8248164 0.90 PDE5A (0.81) PDE5APDE6AKCNH2PDE4BPDE4D
SCHEMBL8247140 0.90 PDE5A (0.81) PDE5APDE6AKCNH2PDE4BPDE4D
SCHEMBL8247223 0.89 PDE5A (0.82) PDE5APDE6AKCNH2
SCHEMBL8247637 0.87 PDE5A (1.00) PDE5APDE6AKCNH2
SCHEMBL8250248 0.87 PDE5A (1.00) PDE5APDE6AKCNH2

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
WO-2006126083-A1 PYRIDINE [3 , 4-B] PYRAZINONE COMPOUNDS AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 — — WO disclosed
WO-2006126083-A1 PYRIDINE [3 , 4-B] PYRAZINONE COMPOUNDS AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 — — WO disclosed
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