SCHEMBL7315251

SCHEMBL7315251

CCn1nc(-c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.66
ADORA1 P30542 7/20 0.66
ADORA2A P29274 6/20 0.66
ADORA2B P29275 5/20 0.66
HPGDS O60760 4/20 0.50
CD274 Q9NZQ7 4/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL7306242 0.96 PDE4B (0.72) PDE4BADORA1ADORA2AADORA2BHPGDS
SCHEMBL7318150 0.93 PDE4B (0.65) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7315959 0.89 PDE4B (0.71) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7312351 0.85 PDE4B (0.58) PDE4BADORA1ADORA2AADORA2BHPGDS
SCHEMBL12027312 0.84 PDE4B (0.62) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7307038 0.84 PDE4B (0.71) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824382 0.84 PDE4B (0.92) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7318158 0.83 PDE4B (0.66) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7313916 0.83 PDE4B (0.59) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7311318 0.83 PDE4B (0.59) 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 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