SCHEMBL5244249

SCHEMBL5244249

CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCN[C@@H](C)C3)nc12

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 1.00

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
SCHEMBL4133246 1.00 PDE5A (1.00) PDE5AKCNH2
SCHEMBL4037933 1.00 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5245313 0.94 PDE5A (0.89) PDE5AKCNH2
SCHEMBL8262550 0.93 PDE5A (0.87) PDE5AKCNH2
SCHEMBL5244683 0.93 PDE5A (0.87) PDE5AKCNH2
SCHEMBL4037212 0.92 PDE5A (0.85) PDE5AKCNH2
SCHEMBL12768625 0.92 PDE5A (0.85) PDE5AKCNH2
SCHEMBL8261458 0.92 PDE5A (0.85) PDE5AKCNH2
SCHEMBL4039815 0.91 PDE5A (1.00) PDE5AKCNH2
SCHEMBL4462003 0.91 PDE5A (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 EP claimed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO claimed