SCHEMBL7307576

SCHEMBL7307576

CCn1nc(-c2cccc(-c3cccc(C(=O)NCC(N)=O)c3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.48
ADORA2A P29274 8/20 0.45
ADORA1 P30542 8/20 0.45
ADORA2B P29275 6/20 0.45
CLK1 P49759 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL7310969 0.93 PDE4B (0.49) PDE4BADORA2AADORA1ADORA2BCLK1
SCHEMBL7316781 0.91 PDE4B (0.48) PDE4BADORA2AADORA1ADORA2BCLK1
SCHEMBL7308904 0.90 PDE4B (0.56) PDE4BADORA2AADORA1ADORA2BCLK1
SCHEMBL7314230 0.87 PDE4B (0.52) PDE4BADORA2AADORA1ADORA2BCLK1
SCHEMBL7319363 0.87 PDE4B (0.61) PDE4BADORA2AADORA1ADORA2BPDE4A
SCHEMBL7310429 0.87 PDE4B (0.47) PDE4BADORA2AADORA1ADORA2BCLK1
SCHEMBL7320176 0.86 PDE4B (0.45) PDE4BADORA2AADORA1ADORA2BMEN1
SCHEMBL7306806 0.85 PDE4B (0.62) PDE4BADORA2AADORA1ADORA2BCLK1
SCHEMBL7305549 0.85 PDE4B (0.63) PDE4BADORA2AADORA1ADORA2B
SCHEMBL7309937 0.84 PDE4B (0.58) PDE4BADORA2AADORA1ADORA2BMEN1

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