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Sugi Predict / Compounds / SCHEMBL7601697

SCHEMBL7601697

SCHEMBL7601697

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC(CO)Cc5ccccc5)nc(NCCN5CCCC5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.53
▸ ADORA1 P30542 3/20 0.51
▸ ADORA3 P0DMS8 5/20 0.48
▸ ADORA2B P29275 2/20 0.48
▸ PGK1 P00558 3/20 0.46
▸ PGK2 P07205 3/20 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
SCHEMBL6835017 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL7598658 0.99 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL7598650 0.99 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL6838990 0.99 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL6838742 0.95 ADORA1 (0.49) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL7596005 0.95 ADORA1 (0.49) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL7596012 0.95 ADORA1 (0.49) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL7596397 0.91 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL7596392 0.91 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL6838987 0.91 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BPGK1

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