SCHEMBL7319337

SCHEMBL7319337

CCOC(=O)c1cccc(-c2cccc(-c3cc(Nc4cncc5ccccc45)c(=O)n(CC)n3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.52
ADORA1 P30542 8/20 0.50
ADORA2A P29274 5/20 0.50
ADORA2B P29275 5/20 0.50
CDC25B P30305 1/20 0.46

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
SCHEMBL7315338 0.95 PDE4B (0.54) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7310820 0.90 PDE4B (0.59) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308311 0.89 PDE4B (0.66) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7313312 0.87 PDE4B (0.55) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7318158 0.86 PDE4B (0.66) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7311591 0.85 PDE4B (0.56) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4062757 0.85 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7312426 0.84 PDE4B (0.69) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7315841 0.84 PDE4B (0.67) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4050296 0.83 PDE4B (0.48) 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 disclosed
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