SCHEMBL8262012

SCHEMBL8262012

CCOCCn1nc(C(F)(F)F)c2nc(Cl)nc(Nc3ccc(C)cn3)c21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.53
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8260976 0.87 PDE5A (0.39) PDE5AKCNH2
SCHEMBL8261148 0.86 PDE5A (0.70) PDE5AKCNH2
SCHEMBL4476229 0.84 PDE5A (0.61) PDE5AKCNH2
SCHEMBL4471824 0.82 PDE5A (0.52) PDE5AKCNH2
SCHEMBL4040944 0.81 PDE5A (0.50) PDE5AKCNH2
SCHEMBL5244054 0.76 EGFR (0.32)
SCHEMBL4468768 0.75 PDE5A (0.48) PDE5AKCNH2
SCHEMBL4040756 0.75 PDE5A (0.44) PDE5A
SCHEMBL1527784 0.72 PDE5A (0.72) PDE5AKCNH2
SCHEMBL27623458 0.72 PDE5A (0.59) 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