SCHEMBL17866004

SCHEMBL17866004

CN([C@H]1C[C@@H](n2ccc3c(NCc4cccc5ccccc45)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
NAE1 Q13564 2/20 0.41
CA2 P00918 2/20 0.41
UBA6 A0AVT1 2/20 0.41
GRK5 P34947 1/20 0.41
CSNK1A1 P48729 1/20 0.41
NEDD8 Q15843 1/20 0.41
UBA3 Q8TBC4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
FYN P06241 1/20 0.38
SRC P12931 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
SCHEMBL17865943 0.88 KDM4E (0.47) AURKARPS6KB1NAE1CA2UBA6
SCHEMBL17865956 0.87 NAE1 (0.43) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865967 0.87 AURKA (0.42) AURKARPS6KB1AURKBNAE1CA2
SCHEMBL17866003 0.84 NAE1 (0.48) AURKARPS6KB1AURKBNAE1CA2
SCHEMBL17865921 0.83 METTL3 (0.54) NAE1CA2GRK5CSNK1A1ADORA3
SCHEMBL17865958 0.83 TP53 (0.45) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865917 0.83 UBA6 (0.42) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17866073 0.82 AURKA (0.45) AURKARPS6KB1AURKBNAE1CA2
SCHEMBL17865973 0.82 UBA6 (0.42) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865979 0.82 METTL3 (0.40) NAE1CA2UBA6GRK5CSNK1A1

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
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP claimed