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Sugi Predict / Compounds / SCHEMBL7596097

SCHEMBL7596097

SCHEMBL7596097

CCc1cc(C2O[C@@H](n3cnc4c(NCc5ccccc5)nc(NCCN5CCCCC5)nc43)[C@H](O)C2O)on1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.58
▸ PGK1 P00558 3/20 0.49
▸ PGK2 P07205 3/20 0.49
▸ ADORA3 P0DMS8 5/20 0.48
▸ NT5E P21589 1/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ ADORA1 P30542 2/20 0.45

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
SCHEMBL7594742 1.00 ADORA2A (0.58) ADORA2APGK1PGK2ADORA3NT5E
SCHEMBL6839057 1.00 ADORA2A (0.58) ADORA2APGK1PGK2ADORA3NT5E
SCHEMBL7595603 0.94 PGK1 (0.57) ADORA2APGK1PGK2ADORA3ADORA2B
SCHEMBL6839113 0.94 PGK1 (0.57) ADORA2APGK1PGK2ADORA3ADORA2B
SCHEMBL6839831 0.93 ADORA3 (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839042 0.90 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839796 0.90 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7598658 0.89 ADORA2A (0.54) ADORA2APGK1PGK2ADORA3ADORA2B
SCHEMBL7598650 0.89 ADORA2A (0.54) ADORA2APGK1PGK2ADORA3ADORA2B
SCHEMBL6838990 0.89 ADORA2A (0.54) ADORA2APGK1PGK2ADORA3ADORA2B

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