Sugi Predict

Sugi Predict / Compounds / SCHEMBL7459235

SCHEMBL7459235

SCHEMBL7459235

Cn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCC5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.64
▸ ADORA3 P0DMS8 10/20 0.64
▸ ADORA2B P29275 9/20 0.64
▸ ADORA1 P30542 8/20 0.64

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
SCHEMBL7513727 1.00 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7513719 1.00 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5086128 0.92 ADORA2A (0.77) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7455177 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7223578 0.91 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8446589 0.91 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7229994 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5086045 0.87 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7526585 0.87 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7526590 0.87 ADORA2A (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 — — EP claimed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 — — US claimed