SCHEMBL7329934

SCHEMBL7329934

CC(=O)Cn1c(=S)[nH]c2nc[nH]c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.54
PDE4B Q07343 7/20 0.54
PDE4C Q08493 7/20 0.54
PDE4D Q08499 7/20 0.54
ADORA2A P29274 6/20 0.54
ADORA2B P29275 9/20 0.51
ADORA3 P0DMS8 6/20 0.51
ACHE P22303 1/20 0.37
GDA Q9Y2T3 1/20 0.37

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
SCHEMBL7326382 0.86 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL13728725 0.78 ADORA2A (0.75) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8679545 0.72 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4014471 0.71 ADORA2A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL28852667 0.71 ADORA2B (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9260345 0.71 ADORA2B (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL17609557 0.70 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL380135 0.70 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6265343 0.69 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7217322 0.69 ADORA2A (0.97) PDE4APDE4BPDE4CPDE4DADORA2A

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-0485495-A1 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA Beecham Group p.l.c. (GB) 1992-05-20 EP disclosed
WO-1991001730-A2 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA BEECHAM GROUP PLC (GB) 1991-02-21 WO disclosed