SCHEMBL7601507

SCHEMBL7601507

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC5CCSCC5)nc(NCCNC(=N)N)nc43)[C@H](O)C2O)on1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.45
ADORA3 P0DMS8 7/20 0.45
ADORA1 P30542 6/20 0.45
ADORA2B P29275 3/20 0.41
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38

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
SCHEMBL6838906 1.00 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL6839883 0.92 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7595611 0.92 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL6835101 0.90 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839025 0.87 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7596586 0.87 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL6839827 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6834990 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL6839715 0.84 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839840 0.83 PGK1 (0.41) ADORA2AADORA3ADORA1ADORA2BPGK1

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-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed