SCHEMBL5249593

SCHEMBL5249593

CCOCCn1nc(CO)c2nc(Cl)nc(Nc3ccc(F)cc3)c21

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.49
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8262538 0.91 PDE5A (0.49) PDE5AKCNH2
SCHEMBL5243922 0.82 PDE5A (0.46) PDE5AKCNH2
SCHEMBL5248453 0.81 PDE5A (0.60) PDE5AKCNH2
SCHEMBL4038530 0.81 PDE5A (0.61) PDE5AKCNH2
SCHEMBL4476229 0.80 PDE5A (0.61) PDE5AKCNH2
SCHEMBL331573 0.80 PDE5A (0.52) PDE5AKCNH2
SCHEMBL4044350 0.79 PDE5A (0.63) PDE5AKCNH2
SCHEMBL4463332 0.79 PDE5A (0.46) PDE5AKCNH2
SCHEMBL331648 0.78 PDE5A (0.47) PDE5AKCNH2
SCHEMBL331621 0.77 PDE5A (0.35) 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