SCHEMBL4039435

SCHEMBL4039435

Cc1cc(Nc2nc(N3CCC(OC(=O)O)CC3)nc3c(C)nn(CCOCC(F)(F)F)c23)ncn1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.58
KCNH2 Q12809 5/20 0.56

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
SCHEMBL4046910 0.92 PDE5A (0.60) PDE5AKCNH2
SCHEMBL4039428 0.91 PDE5A (0.66) PDE5AKCNH2
SCHEMBL4039875 0.89 PDE5A (0.74) PDE5AKCNH2
SCHEMBL4036024 0.84 PDE5A (0.68) PDE5AKCNH2
SCHEMBL4039868 0.81 PDE5A (0.84) PDE5AKCNH2
SCHEMBL4035667 0.78 PDE5A (0.54) PDE5AKCNH2
SCHEMBL4044735 0.78 PDE5A (0.76) PDE5AKCNH2
SCHEMBL5244344 0.78 PDE5A (0.73) PDE5AKCNH2
SCHEMBL5245545 0.77 PDE5A (0.76) PDE5AKCNH2
SCHEMBL4038559 0.77 PDE5A (0.66) 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-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP claimed