SCHEMBL7600922

SCHEMBL7600922

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC(CO)C(C)C)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA3 P0DMS8 8/20 0.54
ADORA2B P29275 7/20 0.54
ADORA1 P30542 6/20 0.54
CDK1 P06493 2/20 0.46
CDK5 Q00535 2/20 0.46

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
SCHEMBL6835030 1.00 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1CDK1
SCHEMBL6841625 0.93 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7601344 0.89 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7601339 0.89 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839238 0.89 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6841744 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7597473 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7597469 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7596392 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7596397 0.88 ADORA2A (0.53) 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-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed