SCHEMBL7316209

SCHEMBL7316209

CCn1nc(-c2cccc(Br)c2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.61
ADORA1 P30542 4/20 0.47
ADORA2A P29274 3/20 0.47
ADORA2B P29275 3/20 0.47

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
SCHEMBL4050296 0.90 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4062757 0.89 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4054080 0.88 PDE4B (0.52) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4050331 0.87 TBXAS1 (0.53) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4053896 0.86 ADRA2A (0.47) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7310820 0.85 PDE4B (0.59) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4058418 0.85 PDE4B (0.44) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4049293 0.85 PDE4B (0.44) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308311 0.84 PDE4B (0.66) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7318158 0.83 PDE4B (0.66) 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