SCHEMBL8263385

SCHEMBL8263385

Cc1ccnc(Nc2nc(N3CCNCC3)nc3c(C)nn(CCOCC(F)(F)F)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
KCNH2 Q12809 3/20 0.75

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
SCHEMBL8262377 0.92 PDE5A (0.85) PDE5AKCNH2
SCHEMBL8243114 0.90 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5245548 0.90 PDE5A (0.83) PDE5AKCNH2
SCHEMBL8261484 0.89 PDE5A (0.80) PDE5AKCNH2
SCHEMBL12768844 0.88 PDE5A (0.84) PDE5AKCNH2
SCHEMBL4466349 0.88 PDE5A (0.83) PDE5AKCNH2
SCHEMBL8261476 0.88 PDE5A (0.79) PDE5AKCNH2
SCHEMBL8236323 0.88 PDE5A (0.78) PDE5AKCNH2
SCHEMBL4039868 0.86 PDE5A (0.84) PDE5AKCNH2
SCHEMBL8261473 0.86 PDE5A (0.75) 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-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed