SCHEMBL7456399

SCHEMBL7456399

Cn1cnc(CCNc2nc(NCc3ccccc3)c3ncn([C@@H]4O[C@H](c5nnn(C)n5)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.53
PGK2 P07205 3/20 0.53
ADORA3 P0DMS8 13/20 0.51
ADORA2A P29274 13/20 0.51
ADORA2B P29275 12/20 0.51
ADORA1 P30542 11/20 0.51
NT5E P21589 1/20 0.47

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
Formic Acid SCHEMBL7224962 0.97 PGK1 (0.50) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7454558 0.95 PGK1 (0.60) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7744378 0.92 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7221665 0.92 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7465380 0.92 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7230198 0.92 PGK1 (0.56) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL5086139 0.92 PGK1 (0.51) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7452812 0.90 ADORA2A (0.59) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7224964 0.90 PGK1 (0.45) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7224970 0.90 PGK1 (0.46) PGK1PGK2ADORA3ADORA2AADORA2B

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