SCHEMBL2235451

SCHEMBL2235451

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)Oc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.67
RPS6KA3 P51812 2/20 0.67
MAPK14 Q16539 2/20 0.67
ADORA1 P30542 4/20 0.65
P2RY1 P47900 3/20 0.63
DNPH1 O43598 1/20 0.63
PRKAB2 O43741 1/20 0.63
TRPM2 O94759 1/20 0.63
LDHA P00338 1/20 0.63
ADRB2 P07550 1/20 0.63
FBP1 P09467 1/20 0.63
SRC P12931 1/20 0.63
P2RY2 P41231 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PDE3A Q14432 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL8744184 0.90 ADORA1 (0.66) GSK3ARPS6KA3MAPK14ADORA1P2RY1
SCHEMBL9387983 0.88 ADORA1 (0.66) GSK3ARPS6KA3MAPK14ADORA1P2RY1
SCHEMBL1434032 0.87 ADORA1 (0.72) ADORA1P2RY1DNPH1PRKAB2TRPM2
SCHEMBL6905464 0.87 ADORA1 (0.72) ADORA1P2RY1DNPH1PRKAB2TRPM2
SCHEMBL441535 0.87 ABCB1 (0.77) GSK3ARPS6KA3MAPK14ADORA1P2RY1
SCHEMBL11644877 0.87 ABCB1 (0.77) GSK3ARPS6KA3MAPK14ADORA1P2RY1
SCHEMBL1757017 0.86 ADORA1 (0.73) GSK3ARPS6KA3MAPK14ADORA1P2RY1
SCHEMBL19859780 0.86 ADORA1 (0.73) GSK3ARPS6KA3MAPK14ADORA1P2RY1
SCHEMBL10275990 0.85 GSK3A (0.64) GSK3ARPS6KA3MAPK14ADORA1P2RY1
SCHEMBL7925039 0.85 HSP90B1 (0.70) GSK3ARPS6KA3MAPK14ADORA1P2RY1

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
CN-101784556-B Thiocarbon-protecting groups for rna synthesis AGILENT TECHNOLOGIES INC 2014-07-09 CN disclosed
US-8202983-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
US-7999087-B2 While still containing silyl group, these new protecting groups can be introduced selectively in high yielding reaction and not be subject to isomerization during introduction or deprotection; efficient coupling reaction when synthesizing RNA AGILENT TECHNOLOGIES, INC. (US) 2011-08-16 US disclosed