SCHEMBL2822121

SCHEMBL2822121

CCn1nc(-c2cccc(-c3cccc(O)c3F)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 1.00
ADORA1 P30542 4/20 0.76
ADORA2A P29274 3/20 0.76
ADORA2B P29275 3/20 0.76

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
SCHEMBL2822154 0.92 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821713 0.90 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2824817 0.89 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2834870 0.89 PDE4B (0.84) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2829667 0.88 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823519 0.88 PDE4B (0.87) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826846 0.88 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822968 0.87 PDE4B (0.84) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826208 0.87 PDE4B (0.85) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825648 0.87 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