SCHEMBL2822869

SCHEMBL2822869

CCn1nc(-c2cccc(S(=O)(=O)c3ccccc3OC)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.66
ADORA1 P30542 5/20 0.66
ADORA2A P29274 4/20 0.66
ADORA2B P29275 4/20 0.66

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
SCHEMBL2822328 0.90 PDE4B (0.75) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825481 0.88 PDE4B (0.69) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822891 0.87 PDE4B (0.68) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824005 0.86 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825970 0.85 PDE4B (0.69) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821296 0.85 PDE4B (0.79) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822480 0.84 PDE4B (0.78) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821172 0.83 PDE4B (0.77) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821502 0.83 PDE4B (0.67) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826191 0.82 PDE4B (0.79) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO claimed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP claimed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed