SCHEMBL6573981

SCHEMBL6573981

CC(C)(C)c1cc([C@H]2O[C@@H](n3cnc4c(NC5CCS(O)(O)CC5)ncnc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.51
ADORA2A P29274 4/20 0.51
ADORA2B P29275 3/20 0.51
ADORA1 P30542 3/20 0.51
TSHR P16473 3/20 0.49
PMP22 Q01453 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SLC29A1 Q99808 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 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
SCHEMBL6573985 0.93 ADORA2A (0.51) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6572724 0.92 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6572852 0.90 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6575235 0.86 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6574136 0.86 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6572691 0.86 ADORA1 (0.49) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6575020 0.85 ADORA1 (0.52) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6575114 0.85 ADORA1 (0.51) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6572642 0.84 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL6572798 0.84 ADORA3 (0.47) ADORA3ADORA2AADORA2BADORA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
JP-3378240-B2 2003-02-17 JP claimed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US claimed
JP-2002518509-A 2002-06-25 JP claimed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US disclosed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed