SCHEMBL7316189

SCHEMBL7316189

CCn1nc(-c2cccc(-c3cccc(CC(=O)O)c3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.57
ADORA1 P30542 4/20 0.57
ADORA2A P29274 3/20 0.57
ADORA2B P29275 3/20 0.57
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CLK1 P49759 1/20 0.41

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
SCHEMBL7316210 0.94 PDE4B (0.58) PDE4BADORA1ADORA2AADORA2BLMNA
SCHEMBL7306912 0.92 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2BLMNA
SCHEMBL7314230 0.89 PDE4B (0.52) PDE4BADORA1ADORA2AADORA2BCLK1
SCHEMBL7303361 0.87 PDE4B (0.49) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7304940 0.87 PDE4B (0.59) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4052027 0.86 PDE4B (0.54) PDE4BLMNAHTTKDM4E
SCHEMBL7308904 0.86 PDE4B (0.56) PDE4BADORA1ADORA2AADORA2BCLK1
SCHEMBL7310969 0.86 PDE4B (0.49) PDE4BADORA1ADORA2AADORA2BKDM4E
SCHEMBL7315199 0.85 PDE4B (0.49) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7319231 0.85 PDE4B (0.57) PDE4BADORA1ADORA2AADORA2BLMNA

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