SCHEMBL5244173

SCHEMBL5244173

FC(F)(F)COCCn1nc(C(F)(F)F)c2nc(Cl)nc(Cl)c21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.32
KCNH2 Q12809 2/20 0.32

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
SCHEMBL5244054 0.88 EGFR (0.32)
SCHEMBL4049032 0.86 PDE5A (0.43) PDE5AKCNH2
SCHEMBL4039722 0.84 PDE5A (0.46) PDE5AKCNH2
SCHEMBL4042744 0.84 PDE5A (0.36) PDE5AKCNH2
SCHEMBL8262521 0.81 ESR1 (0.32)
SCHEMBL331399 0.79 CACNA1G (0.33) PDE5AKCNH2
SCHEMBL1527794 0.68 PDE5A (0.42) PDE5AKCNH2
SCHEMBL8262012 0.66 PDE5A (0.53) PDE5AKCNH2
SCHEMBL331427 0.64 PDE5A (0.32) PDE5A
SCHEMBL8300013 0.63 PDE5A (0.32) PDE5A

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 disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed