SCHEMBL6572707

SCHEMBL6572707

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)NNC(=O)C1CC1)O[C@H]2n1cnc2c(NC3CCCC3)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.56
ADORA2B P29275 4/20 0.56
ADORA3 P0DMS8 8/20 0.51
ADORA1 P30542 5/20 0.51
TSHR P16473 2/20 0.49
PMP22 Q01453 1/20 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

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
SCHEMBL6793617 1.00 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL6575255 0.90 ADORA2A (0.58) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL6573057 0.89 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL6574065 0.87 ADORA2A (0.59) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL13337623 0.81 ADORA2A (0.72) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL13309344 0.81 ADORA2A (0.72) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL5507625 0.81 ADORA3 (0.62) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL5504161 0.81 TSHR (0.52) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL12200089 0.81 ADORA3 (0.69) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL7735031 0.81 ADORA3 (0.69) ADORA2AADORA2BADORA3ADORA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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