SCHEMBL2829371

SCHEMBL2829371

CCn1nc(-c2cccc(-c3cc(OCC4CC4)cc(C(=O)NCCCCCCCN(C)CCO)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.78
ADORA1 P30542 16/20 0.78
ADORA2B P29275 10/20 0.78
ADORA2A P29274 9/20 0.78
PDE4A P27815 2/20 0.78
PDE4C Q08493 2/20 0.78
PDE4D Q08499 2/20 0.78

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
SCHEMBL2831213 0.95 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2823181 0.93 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2828360 0.93 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2826652 0.93 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2824868 0.89 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2822222 0.89 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2826132 0.88 PDE4B (1.00) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2823416 0.88 PDE4B (1.00) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2826201 0.88 PDE4B (0.89) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2822491 0.87 PDE4B (0.92) PDE4BADORA1ADORA2BADORA2APDE4A

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