SCHEMBL7304693

SCHEMBL7304693

CCn1nc(-c2cccc(-c3cc(O)cc(C(=O)OC)c3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.47
ADORA1 P30542 4/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 2/20 0.46
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7315199 0.92 PDE4B (0.49) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7307078 0.87 PDE4B (0.56) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7315409 0.87 PDE4B (0.55) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7309937 0.86 PDE4B (0.58) PDE4BADORA1ADORA2AADORA2BMEN1
SCHEMBL7314230 0.86 PDE4B (0.52) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7308904 0.85 PDE4B (0.56) PDE4BADORA1ADORA2AADORA2BMEN1
SCHEMBL7309800 0.85 PDE4B (0.65) PDE4BADORA1ADORA2AADORA2BRECQL
SCHEMBL7304940 0.84 PDE4B (0.59) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7316781 0.83 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2BMEN1
SCHEMBL7313312 0.83 PDE4B (0.55) 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