SCHEMBL4012115

SCHEMBL4012115

CCCCCn1c2nc[nH]c2c(=O)n2c(COC(N)=O)nnc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.52
PDE4A P27815 13/20 0.47
PDE4B Q07343 13/20 0.47
PDE4C Q08493 13/20 0.47
PDE4D Q08499 13/20 0.47
ADORA2A P29274 9/20 0.47

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
SCHEMBL10183553 0.87 ADORA2B (0.57) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10184866 0.84 ADORA2B (0.59) ADORA2BPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL562533 0.83 ADORA2B (0.58) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL562083 0.83 PDE4A (0.55) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL562757 0.83 ADORA2B (0.57) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL562019 0.82 ADORA2B (0.54) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL3913271 0.81 ADORA2B (0.53) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL562941 0.81 ADORA2B (0.63) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL3911706 0.80 ADORA2B (0.51) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL562432 0.79 ADORA2B (0.59) ADORA2BPDE4APDE4BPDE4CPDE4D

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