SCHEMBL17865924

SCHEMBL17865924

Cc1cc(CNc2ncnc3c2ccn3[C@H]2C[C@H](O)[C@@H](N(C)S(=O)(=O)O)C2)no1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 5/20 0.38
NAE1 Q13564 2/20 0.38
CA2 P00918 2/20 0.38
GRK5 P34947 1/20 0.38
CSNK1A1 P48729 1/20 0.38
NEDD8 Q15843 1/20 0.38
UBA3 Q8TBC4 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
METTL3 Q86U44 2/20 0.36
METTL14 Q9HCE5 1/20 0.36
PIP4K2A P48426 1/20 0.34
PRMT5 O14744 4/20 0.33
WDR77 Q9BQA1 4/20 0.33
TLR7 Q9NYK1 4/20 0.32
KCNH2 Q12809 3/20 0.32
HTR2A P28223 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL17865925 0.85 NAE1 (0.44) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865956 0.84 NAE1 (0.43) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17866063 0.83 METTL3 (0.37) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865958 0.83 TP53 (0.45) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865917 0.83 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865976 0.82 CCNA2 (0.44) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865973 0.82 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865944 0.82 PDE5A (0.49)
SCHEMBL17865979 0.82 METTL3 (0.40) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865921 0.82 METTL3 (0.54) NAE1CA2GRK5CSNK1A1METTL3

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