SCHEMBL7307669

SCHEMBL7307669

CCn1nc(-c2cccc(-c3cccc(C(=O)NCC[C@@H]4CCCN4C)c3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.64
ADORA1 P30542 9/20 0.64
ADORA2A P29274 6/20 0.64
ADORA2B P29275 6/20 0.57
ACP1 P24666 2/20 0.44
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
BRAF P15056 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
SCHEMBL7314819 1.00 PDE4B (0.64) PDE4BADORA1ADORA2AADORA2BACP1
SCHEMBL7305549 0.87 PDE4B (0.63) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308822 0.85 PDE4B (0.59) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308447 0.85 PDE4B (0.59) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7306806 0.85 PDE4B (0.62) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7309072 0.84 PDE4B (0.64) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7312390 0.84 PDE4B (0.52) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7319363 0.84 PDE4B (0.61) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7307160 0.83 PDE4B (0.57) PDE4BADORA1ADORA2AADORA2BBRAF
SCHEMBL7310969 0.83 PDE4B (0.49) 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