SCHEMBL7744378

SCHEMBL7744378

CCn1nnc(C2OC(n3cnc4c(NCc5ccccc5)nc(NCCc5cn(C)cn5)nc43)C(O)C2O)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.61
ADORA2A P29274 19/20 0.61
ADORA2B P29275 18/20 0.61
ADORA1 P30542 18/20 0.61

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
SCHEMBL7221665 1.00 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7455077 0.95 PGK1 (0.57) ADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL7223291 0.95 PGK1 (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7456399 0.92 PGK1 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7230980 0.92 ADORA3 (0.69) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5086139 0.91 PGK1 (0.51) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7224962 0.89 PGK1 (0.50) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7463425 0.89 ADORA2A (0.67) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7455750 0.88 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7223839 0.88 PGK1 (0.48) ADORA3ADORA2AADORA2BADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US disclosed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP disclosed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO disclosed