SCHEMBL2823905

SCHEMBL2823905

CCn1nc(-c2cccc(-c3cccc(C(=O)NCC(=O)O)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 11/20 0.78
ADORA2A P29274 10/20 0.78
ADORA2B P29275 8/20 0.78
PDE4A P27815 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70

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
SCHEMBL2825736 0.93 PDE4B (0.81) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2823818 0.92 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2822442 0.92 PDE4B (0.76) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2821555 0.91 PDE4B (0.85) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2823048 0.90 PDE4B (0.76) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2825776 0.90 PDE4B (0.84) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2825733 0.90 PDE4B (0.90) PDE4BADORA1ADORA2AADORA2B
SCHEMBL2821266 0.89 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2822384 0.89 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2BPDE4A
SCHEMBL2822614 0.89 PDE4B (0.79) PDE4BADORA1ADORA2AADORA2BPDE4A

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 2 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
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed