SCHEMBL7309072

SCHEMBL7309072

CCn1nc(-c2cccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.64
ADORA1 P30542 6/20 0.64
ADORA2A P29274 5/20 0.64
ADORA2B P29275 4/20 0.64
GRK5 P34947 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CG P48736 1/20 0.47
MAP4K4 O95819 1/20 0.47
HPGDS O60760 1/20 0.46
ERN1 O75460 1/20 0.45
CAMK2D Q13557 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7312351 0.96 PDE4B (0.58) PDE4BADORA1ADORA2AADORA2BPIK3CD
SCHEMBL7305549 0.93 PDE4B (0.63) PDE4BADORA1ADORA2AADORA2BMAP4K4
SCHEMBL7307160 0.89 PDE4B (0.57) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7315729 0.88 PDE4B (0.49) PDE4BADORA1ADORA2AADORA2BCYP2C9
SCHEMBL7319363 0.85 PDE4B (0.61) PDE4BADORA1ADORA2AADORA2BCAMK2D
SCHEMBL7307669 0.84 PDE4B (0.64) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7314819 0.84 PDE4B (0.64) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7306242 0.84 PDE4B (0.72) PDE4BADORA1ADORA2AADORA2BMAP4K4
SCHEMBL7310969 0.84 PDE4B (0.49) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7312390 0.84 PDE4B (0.52) 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