SCHEMBL7569540

SCHEMBL7569540

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NC5CCCC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.51
ADORA3 P0DMS8 6/20 0.48
ADORA1 P30542 5/20 0.48
ADORA2B P29275 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 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 SCHEMBL7211355 0.96 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7207428 0.93 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7207432 0.93 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7204932 0.92 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL7211364 0.91 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7205326 0.90 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7568162 0.90 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7204946 0.90 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7204951 0.90 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7211360 0.89 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP claimed