SCHEMBL28705299

SCHEMBL28705299

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.Nc1ccccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.57
RPS6KA3 P51812 2/20 0.57
MAPK14 Q16539 2/20 0.57
ADORA1 P30542 4/20 0.55
MARS1 P56192 1/20 0.54
ABCB1 P08183 1/20 0.53
P2RY1 P47900 3/20 0.53
TRPM2 O94759 2/20 0.53
SRC P12931 2/20 0.53
P2RY2 P41231 2/20 0.53
DNPH1 O43598 1/20 0.53
PRKAB2 O43741 1/20 0.53
LDHA P00338 1/20 0.53
ADRB2 P07550 1/20 0.53
FBP1 P09467 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PDE4D Q08499 1/20 0.53
KCNH2 Q12809 1/20 0.53
PRKAA1 Q13131 1/20 0.53

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
SCHEMBL29387664 0.92 MARS1 (0.56) GSK3ARPS6KA3MAPK14ADORA1MARS1
SCHEMBL9052982 0.92 MARS1 (0.56) GSK3ARPS6KA3MAPK14ADORA1MARS1
SCHEMBL5550634 0.85 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ADORA1MARS1
SCHEMBL31001632 0.85 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ADORA1MARS1
SCHEMBL219554 0.85 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ADORA1MARS1
SCHEMBL11584743 0.85 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ADORA1MARS1
SCHEMBL9298395 0.84 LMNA (0.64) GSK3ARPS6KA3MAPK14ABCB1DNPH1
SCHEMBL8987656 0.84 LMNA (0.64) GSK3ARPS6KA3MAPK14ABCB1DNPH1
SCHEMBL6244010 0.84 PRKAB2 (0.50) GSK3ARPS6KA3MAPK14ADORA1MARS1
SCHEMBL6244016 0.84 PRKAB2 (0.50) GSK3ARPS6KA3MAPK14ADORA1MARS1

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
CN-114040768-A Application of inosine in tumor immunotherapy 免疫闪耀生物科技有限责任公司 2022-02-11 CN disclosed