SCHEMBL7459232

SCHEMBL7459232

Cn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCC5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.52
ADORA1 P30542 7/20 0.52
ADORA2A P29274 6/20 0.52
ADORA2B P29275 4/20 0.52
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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 SCHEMBL7223577 0.97 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5086124 0.92 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7223581 0.91 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7229560 0.89 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7455168 0.86 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5086039 0.86 ADORA2A (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7456601 0.86 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5089427 0.84 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2BCYP1A2
Formic Acid SCHEMBL7231158 0.83 ADORA2A (0.48) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7221846 0.83 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B

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