SCHEMBL2825995

SCHEMBL2825995

CCn1nc(-c2cccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 1.00
ADORA1 P30542 14/20 1.00
ADORA2B P29275 11/20 1.00
ADORA2A P29274 10/20 1.00
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
SCHEMBL2821518 0.96 PDE4B (0.93) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2824382 0.96 PDE4B (0.92) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2822160 0.96 PDE4B (0.92) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2821745 0.93 PDE4B (0.98) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2825745 0.93 PDE4B (1.00) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2822887 0.93 PDE4B (0.89) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2823514 0.92 PDE4B (1.00) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2821250 0.91 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2823169 0.90 PDE4B (0.93) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2824603 0.89 PDE4B (0.81) PDE4BADORA1ADORA2BADORA2A

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