SCHEMBL17865973

SCHEMBL17865973

CNc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](N(C)S(=O)(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 5/20 0.42
NAE1 Q13564 2/20 0.42
CA2 P00918 2/20 0.42
GRK5 P34947 1/20 0.42
CSNK1A1 P48729 1/20 0.42
NEDD8 Q15843 1/20 0.42
UBA3 Q8TBC4 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
PRMT5 O14744 8/20 0.41
WDR77 Q9BQA1 8/20 0.41
PIP4K2A P48426 1/20 0.38
ADORA3 P0DMS8 2/20 0.34
YTHDC1 Q96MU7 1/20 0.34

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
SCHEMBL17865963 0.90 UBA6 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL10004855 0.87 ADK (0.47) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865917 0.86 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865956 0.86 NAE1 (0.43) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865958 0.85 TP53 (0.45) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17866002 0.84 NAE1 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865976 0.83 CCNA2 (0.44) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865992 0.82 NAE1 (0.49) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865924 0.82 UBA6 (0.38) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865921 0.82 METTL3 (0.54) NAE1CA2GRK5CSNK1A1ADORA3

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