SCHEMBL6574625

SCHEMBL6574625

CCC1CC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](c3nc(C)no3)[C@@H](O)[C@H]2O)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.48
ADORA2A P29274 4/20 0.48
ADORA2B P29275 4/20 0.48
ADORA3 P0DMS8 4/20 0.48
TSHR P16473 2/20 0.44
PMP22 Q01453 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC29A1 Q99808 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 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
SCHEMBL6573093 0.86 ADORA1 (0.48) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6574690 0.85 ADORA1 (0.49) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6573833 0.84 ADORA1 (0.55) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6573828 0.84 ADORA1 (0.55) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6572897 0.84 ADORA1 (0.48) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6572906 0.84 ADORA3 (0.60) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6574959 0.82 ADORA3 (0.62) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6572451 0.81 ADORA2A (0.62) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6574214 0.80 ADORA2A (0.57) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6576874 0.78 ADORA3 (0.51) ADORA1ADORA2AADORA2BADORA3RXFP1

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 claimed
JP-3378240-B2 2003-02-17 JP 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