SCHEMBL4306765

SCHEMBL4306765

CCCCCn1c2nc[nH]c2c(=O)n2c(S(=O)(=O)NC)nnc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.55
ADORA2A P29274 14/20 0.49
PDE4A P27815 12/20 0.49
PDE4B Q07343 12/20 0.49
PDE4C Q08493 12/20 0.49
PDE4D Q08499 12/20 0.49
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL561893 0.88 ADORA2B (0.58) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4314446 0.81 ADORA2A (0.44) ADORA2A
SCHEMBL561996 0.81 ADORA2A (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL562941 0.81 ADORA2B (0.63) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL562556 0.78 ADORA2B (0.59) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL10184866 0.78 ADORA2B (0.59) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL563329 0.78 ADORA2B (0.59) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL563241 0.78 ADORA2B (0.58) ADORA2BADORA2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL562533 0.78 ADORA2B (0.58) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL562577 0.77 ADORA2B (0.57) ADORA2BADORA2APDE4APDE4BPDE4C

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-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO disclosed