SCHEMBL7465380

SCHEMBL7465380

Cn1cnc(CCNc2nc(NCc3cccc(I)c3)c3ncn([C@@H]4O[C@H](c5nnn(C)n5)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.58
ADORA1 P30542 10/20 0.58
ADORA2A P29274 9/20 0.58
ADORA2B P29275 7/20 0.58
HTR2C P28335 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
PPARD Q03181 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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 SCHEMBL7221833 0.97 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL7230980 0.93 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7456399 0.92 PGK1 (0.53) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7221838 0.91 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL7522964 0.91 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL7221837 0.91 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BHTR2C
Formic Acid SCHEMBL7224962 0.89 PGK1 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7454558 0.89 PGK1 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5138486 0.87 ADORA3 (0.59) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL5138159 0.86 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2BHTR2C

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