SCHEMBL8608166

SCHEMBL8608166

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCNC(=N)N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.80
ADORA3 P0DMS8 6/20 0.80
ADORA2B P29275 6/20 0.80
ADORA1 P30542 6/20 0.80

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
SCHEMBL8611354 0.96 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8608927 0.91 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8611310 0.89 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610432 0.88 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610418 0.87 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609204 0.86 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8606824 0.86 ADORA2A (0.92) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610672 0.86 ADORA2A (0.99) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8607460 0.86 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609149 0.86 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1

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-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO disclosed