SCHEMBL7459765

SCHEMBL7459765

CC(C)n1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCC5)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.52
ADORA2A P29274 14/20 0.52
ADORA1 P30542 11/20 0.52
ADORA2B P29275 7/20 0.52
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL5088850 1.00 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2BCDK1
Formic Acid SCHEMBL7231390 0.97 ADORA2A (0.49) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7459932 0.91 ADORA3 (0.64) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7231395 0.91 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2BCDK1
SCHEMBL7231392 0.91 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2BCDK1
SCHEMBL2289136 0.89 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5600260 0.89 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296874 0.89 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL14538873 0.89 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296838 0.89 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B

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