SCHEMBL17875191

SCHEMBL17875191

CC1(C)C[C@H](Nc2ncnc3c2ccn3C2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 18/20 0.73
UBA3 Q8TBC4 16/20 0.73
CA2 P00918 2/20 0.73
UBA6 A0AVT1 2/20 0.73
SAE1 Q9UBE0 2/20 0.73
GRK5 P34947 1/20 0.73
CSNK1A1 P48729 1/20 0.73
NEDD8 Q15843 1/20 0.73
UBA2 Q9UBT2 1/20 0.73
UBA1 P22314 1/20 0.57

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
SCHEMBL192881 1.00 NAE1 (0.73) NAE1UBA3CA2UBA6SAE1
SCHEMBL192956 1.00 NAE1 (0.73) NAE1UBA3CA2UBA6SAE1
SCHEMBL192416 1.00 NAE1 (0.73) NAE1UBA3CA2UBA6SAE1
SCHEMBL191755 0.91 NAE1 (0.63) NAE1UBA3CA2UBA6SAE1
SCHEMBL13193538 0.86 NAE1 (0.56) NAE1UBA3CA2UBA6SAE1
SCHEMBL14447557 0.86 NAE1 (0.56) NAE1UBA3CA2UBA6SAE1
SCHEMBL10233939 0.86 NAE1 (0.56) NAE1UBA3CA2UBA6SAE1
Pevonedistat SCHEMBL23924438 0.85 NAE1 (1.00) NAE1UBA3CA2UBA6SAE1
Pevonedistat SCHEMBL14328898 0.85 NAE1 (1.00) NAE1UBA3CA2UBA6SAE1
Pevonedistat SCHEMBL22472958 0.85 NAE1 (1.00) NAE1UBA3CA2UBA6SAE1

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 disclosed