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SCHEMBL2825865

SCHEMBL2825865

CCn1nc(-c2cccc(-c3cc(C(=O)NCCCN(C)C)cc(C(=O)OC)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 12/20 1.00
▸ ADORA2B P29275 10/20 0.88
▸ ADORA2A P29274 8/20 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
SCHEMBL2825808 0.96 PDE4B (0.96) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2821198 0.94 PDE4B (1.00) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2824449 0.93 PDE4B (0.90) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2829354 0.92 PDE4B (0.89) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2825053 0.92 PDE4B (0.85) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2826571 0.92 PDE4B (0.91) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2822386 0.91 PDE4B (0.86) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2823346 0.90 PDE4B (0.86) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2822147 0.90 PDE4B (0.83) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2821265 0.90 PDE4B (0.82) 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 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