SCHEMBL17865995

SCHEMBL17865995

CO[C@@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1ccn2[C@@H]1C[C@@H](CNS(=O)(=O)O)[C@@H](O)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 15/20 0.55
UBA3 Q8TBC4 13/20 0.55
UBA6 A0AVT1 3/20 0.55
CA2 P00918 2/20 0.55
SAE1 Q9UBE0 2/20 0.55
GRK5 P34947 1/20 0.55
CSNK1A1 P48729 1/20 0.55
NEDD8 Q15843 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CRHR1 P34998 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
SCHEMBL10005114 1.00 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL192677 0.95 NAE1 (0.57) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865945 0.92 NAE1 (0.54) NAE1UBA3UBA6CA2SAE1
SCHEMBL10005007 0.92 NAE1 (0.54) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865991 0.90 NAE1 (0.58) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865927 0.90 NAE1 (0.57) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865969 0.90 NAE1 (0.57) NAE1UBA3UBA6CA2SAE1
SCHEMBL5456241 0.90 NAE1 (0.57) NAE1UBA3UBA6CA2SAE1
SCHEMBL191800 0.90 NAE1 (0.57) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865996 0.90 NAE1 (0.56) NAE1UBA3UBA6CA2SAE1

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