SCHEMBL2829537

SCHEMBL2829537

CCOC(=O)c1ccc(-c2cccc(-c3cc(NC(=O)Nc4c(Cl)cncc4Cl)c(=O)n(CC)n3)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.81
ADORA1 P30542 7/20 0.75
ADORA2A P29274 5/20 0.75
ADORA2B P29275 5/20 0.75

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
SCHEMBL2828611 0.95 PDE4B (0.79) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822826 0.93 PDE4B (0.70) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823507 0.90 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824921 0.90 PDE4B (0.78) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825099 0.89 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823245 0.89 PDE4B (0.88) PDE4BADORA1ADORA2AADORA2B
SCHEMBL8442353 0.89 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825138 0.88 PDE4B (0.76) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824890 0.88 PDE4B (0.68) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823620 0.88 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 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