SCHEMBL2821741

SCHEMBL2821741

CCn1nc(-c2cccc(-c3cccc(C(=O)NCc4ccc(O)cc4)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.79
ADORA1 P30542 12/20 0.76
ADORA2A P29274 10/20 0.76
ADORA2B P29275 8/20 0.76
PDE4A P27815 1/20 0.67
PDE4C Q08493 1/20 0.67
PDE4D Q08499 1/20 0.67

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
SCHEMBL8443951 0.95 PDE4B (0.72) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2826126 0.94 PDE4B (0.79) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2823048 0.94 PDE4B (0.76) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2822745 0.92 PDE4B (0.74) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2826245 0.91 PDE4B (0.74) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2822317 0.90 PDE4B (0.84) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824869 0.90 PDE4B (0.73) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2823818 0.89 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2825949 0.89 PDE4B (0.77) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823620 0.89 PDE4B (1.00) 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 4 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