SCHEMBL7315959

SCHEMBL7315959

CCn1nc(-c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.71
ADORA1 P30542 12/20 0.71
ADORA2B P29275 9/20 0.71
ADORA2A P29274 8/20 0.71
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ATR Q13535 2/20 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
SCHEMBL7318150 0.96 PDE4B (0.65) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL7306242 0.93 PDE4B (0.72) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL7315251 0.89 PDE4B (0.66) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7315507 0.88 PDE4B (0.64) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7307038 0.88 PDE4B (0.71) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7314479 0.85 PDE4B (0.65) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7307121 0.85 PDE4B (0.65) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7312426 0.85 PDE4B (0.69) PDE4BADORA1ADORA2BADORA2A
SCHEMBL7307936 0.84 PDE4B (0.62) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL7305549 0.84 PDE4B (0.63) PDE4BADORA1ADORA2BADORA2AATR

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 3 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
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