SCHEMBL8587172

SCHEMBL8587172

COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(O)C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.47
ADA P00813 1/20 0.44
CYP2C19 P33261 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2B P29275 3/20 0.41
SLC29A1 Q99808 5/20 0.39
ALOX15 P16050 1/20 0.39
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38

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
SCHEMBL8588460 0.85 ADORA2A (0.45) ADORA2AADACYP2C19ADORA3ADORA1
SCHEMBL8584996 0.84 NT5E (0.41) ADORA2ACYP2C19ADORA3ADORA1ADORA2B
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL721333 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12219172 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL19493379 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL14816756 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL15628197 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL14762374 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12939406 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12194676 0.83 ADORA2A (0.66) ADORA2AADACYP2C19ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992001456-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-02-06 WO claimed
WO-1998042352-A1 METHOD FOR TREATING B-CELL TUMORS WITH ARA-G NUCLEOSIDE DERIVATIVES GLAXO GROUP LTD. (GB) 1998-10-01 WO disclosed
WO-1992001456-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-02-06 WO disclosed