SCHEMBL8608455

SCHEMBL8608455

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCOCC4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.88
ADORA3 P0DMS8 7/20 0.77
ADORA2B P29275 4/20 0.77
ADORA1 P30542 4/20 0.77

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
SCHEMBL8610672 0.94 ADORA2A (0.99) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609399 0.94 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8611438 0.93 ADORA2A (0.88) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5723936 0.91 ADORA2A (0.89) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5723926 0.91 ADORA2A (0.89) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609415 0.89 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5723502 0.89 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5723564 0.89 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9059089 0.88 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9058558 0.88 ADORA2A (0.69) 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 1 patent. 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