SCHEMBL2822100

SCHEMBL2822100

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

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.77
ADORA1 P30542 9/20 0.77
ADORA2A P29274 4/20 0.67
ADORA2B P29275 4/20 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
SCHEMBL2821291 0.92 PDE4B (0.74) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821780 0.91 PDE4B (0.80) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822425 0.90 PDE4B (0.75) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826487 0.89 PDE4B (0.81) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821614 0.88 PDE4B (0.88) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2826200 0.87 PDE4B (1.00) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823190 0.86 PDE4B (0.74) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2825733 0.85 PDE4B (0.90) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2822457 0.85 PDE4B (0.68) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2823302 0.85 PDE4B (0.80) 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 3 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