SCHEMBL7308254

SCHEMBL7308254

CCn1nc(-c2cccc(-c3cccc(C(N)=O)c3)c2)cc(Nc2cccc3c2ccc[n+]3[O-])c1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.54
ADORA1 P30542 10/20 0.42
ADORA2A P29274 8/20 0.42
ADORA2B P29275 7/20 0.42

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
SCHEMBL7320567 0.92 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4051034 0.86 PDE4B (0.39) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4058822 0.83 PDE4B (0.36) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308904 0.82 PDE4B (0.56) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7367744 0.79 PDE4B (0.45) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308311 0.78 PDE4B (0.66) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7314230 0.74 PDE4B (0.52) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7307576 0.73 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL3031978 0.71 PDE4B (0.57) PDE4BADORA1
SCHEMBL7309937 0.71 PDE4B (0.58) PDE4BADORA1ADORA2AADORA2B

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-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP claimed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed