SCHEMBL2828401

SCHEMBL2828401

CCn1nc(-c2cccc(-c3cc(C(=O)OC)ccc3F)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.85
ADORA1 P30542 4/20 0.68
ADORA2A P29274 3/20 0.68
ADORA2B P29275 3/20 0.68

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
SCHEMBL2824841 0.92 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822694 0.91 PDE4B (0.78) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822451 0.91 PDE4B (0.70) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825012 0.90 PDE4B (0.79) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823519 0.90 PDE4B (0.87) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825956 0.88 PDE4B (0.79) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826967 0.87 PDE4B (0.85) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825813 0.87 PDE4B (0.84) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824575 0.85 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826122 0.85 PDE4B (0.80) 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
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