SCHEMBL18744136

SCHEMBL18744136

COCC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@](C)(O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.50
HINT1 P49773 3/20 0.48
NT5E P21589 1/20 0.48
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
TGM2 P21980 1/20 0.45
ADA P00813 1/20 0.45
STING1 Q86WV6 1/20 0.44
GSK3A P49840 2/20 0.44
RPS6KA3 P51812 2/20 0.44
MAPK14 Q16539 2/20 0.44
HPRT1 P00492 1/20 0.43
KRAS P01116 2/20 0.43

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
SCHEMBL15045902 0.90 ADORA2A (0.52) ADORA2AHINT1NT5EHPGDPOLB
SCHEMBL15259226 0.90 ADORA2A (0.52) ADORA2AHINT1NT5EHPGDPOLB
2'-B-Methyl-Guanosine SCHEMBL474745 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3
2'-B-Methyl-Guanosine SCHEMBL21007207 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3
2'-B-Methyl-Guanosine SCHEMBL15187539 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3
2'-B-Methyl-Guanosine SCHEMBL10819882 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3
2'-B-Methyl-Guanosine SCHEMBL14946249 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3
2'-B-Methyl-Guanosine SCHEMBL12149502 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3
2'-B-Methyl-Guanosine SCHEMBL10208618 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3
2'-B-Methyl-Guanosine SCHEMBL18537403 0.87 ADORA2A (0.65) ADORA2AHINT1NT5EHPGDADORA3

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
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed