SCHEMBL8609673

SCHEMBL8609673

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCc4cccc(N)n4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.75
ADORA3 P0DMS8 6/20 0.75
ADORA2B P29275 6/20 0.75
ADORA1 P30542 6/20 0.75

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
SCHEMBL8611523 0.89 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609614 0.87 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL242090 0.87 ADORA2A (0.85) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8608927 0.86 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609204 0.86 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8611310 0.85 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610720 0.85 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8608166 0.85 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610432 0.85 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609364 0.84 ADORA2A (0.79) 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