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SCHEMBL8609271

SCHEMBL8609271

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@H]4CC[C@H](N)CC4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 1.00
▸ ADORA3 P0DMS8 6/20 0.72
▸ ADORA2B P29275 6/20 0.72
▸ ADORA1 P30542 6/20 0.72

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
SCHEMBL8609268 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL8611507 0.99 ADORA2A (0.99) ADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL8611509 0.99 ADORA2A (0.99) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8322788 0.94 ADORA2A (0.90) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8326918 0.94 ADORA2A (0.90) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609483 0.94 ADORA2A (0.90) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609426 0.94 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8607428 0.92 ADORA2A (0.89) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8438428 0.92 ADORA2A (0.89) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8327870 0.92 ADORA2A (0.85) 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 4 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 claimed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 — — EP claimed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 — — WO claimed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 — — EP disclosed