SCHEMBL2823617

SCHEMBL2823617

CCn1nc(-c2cccc(-c3cccc(C(=O)NC4CC4)c3)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 12/20 1.00
ADORA2B P29275 8/20 1.00
ADORA2A P29274 8/20 1.00

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
SCHEMBL2821692 0.97 PDE4B (0.94) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2822596 0.97 PDE4B (0.94) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2823615 0.96 PDE4B (1.00) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2822308 0.95 PDE4B (0.91) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2821714 0.95 PDE4B (0.91) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2825007 0.95 PDE4B (0.90) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2822701 0.93 PDE4B (0.91) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2823776 0.93 PDE4B (0.94) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2822880 0.92 PDE4B (0.93) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2822116 0.92 PDE4B (0.91) 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