SCHEMBL5243444

SCHEMBL5243444

CC[C@H]1CN(c2nc(Nc3ccccn3)c3c(cnn3CCOCC(F)(F)F)n2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.58
KCNH2 Q12809 4/20 0.53

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
SCHEMBL5246488 0.92 PDE5A (0.61) PDE5AKCNH2
SCHEMBL5245654 0.92 PDE5A (0.61) PDE5AKCNH2
SCHEMBL5252664 0.92 PDE5A (0.56) PDE5AKCNH2
SCHEMBL5246960 0.92 PDE5A (0.56) PDE5AKCNH2
SCHEMBL5243432 0.91 PDE5A (0.65) PDE5AKCNH2
SCHEMBL5441917 0.90 PDE5A (0.52) PDE5AKCNH2
SCHEMBL5247304 0.90 PDE5A (0.52) PDE5AKCNH2
SCHEMBL5248038 0.87 PDE5A (0.70) PDE5AKCNH2
SCHEMBL5249626 0.86 PDE5A (0.70) PDE5AKCNH2
SCHEMBL5246931 0.86 PDE5A (0.70) 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 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