SCHEMBL3389172

SCHEMBL3389172

CCCNc1nc(Nc2cc(C)ccn2)c2c(n1)c(C(=O)NS(C)(=O)=O)nn2CCOCC

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.75
KCNH2 Q12809 2/20 0.52

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
SCHEMBL13763147 0.90 PDE5A (0.69) PDE5AKCNH2
SCHEMBL332289 0.88 PDE5A (0.78) PDE5AKCNH2
SCHEMBL332278 0.87 PDE5A (0.89) PDE5AKCNH2
SCHEMBL4701111 0.86 PDE5A (0.68) PDE5AKCNH2
Pf-00489791 SCHEMBL29379715 0.86 PDE5A (1.00) PDE5AKCNH2
Pf-00489791 SCHEMBL331279 0.86 PDE5A (1.00) PDE5AKCNH2
SCHEMBL4703074 0.85 PDE5A (0.61) PDE5AKCNH2
SCHEMBL4702131 0.85 PDE5A (0.64) PDE5AKCNH2
SCHEMBL4702163 0.85 PDE5A (0.71) PDE5AKCNH2
SCHEMBL331644 0.85 PDE5A (0.85) 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
EP-1881985-B1 ANHYDROUS CRYSTALLINE FORMS OF N-Ý1-(2-ETHOXYETHYL)-5-(N-ETHYL-N-METHYLAMINO)-7-(4-METHYLPYRIDIN-2-YL-AMINO)-1H-PYRAZOLO[4,3-D]PYRIMIDINE-3-CARBONYL¨METHANESULFONAMIDE PFIZER (US) 2010-12-29 EP claimed