SCHEMBL17875185

SCHEMBL17875185

O[C@@H]1CCC(n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 5/20 0.63
UBA3 Q8TBC4 3/20 0.63
UBA6 A0AVT1 3/20 0.63
SAE1 Q9UBE0 3/20 0.63
CA2 P00918 2/20 0.63
GRK5 P34947 1/20 0.63
CSNK1A1 P48729 1/20 0.63
NEDD8 Q15843 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
AURKA O14965 3/20 0.48
RPS6KB1 P23443 3/20 0.48
EGFR P00533 1/20 0.47
ATG7 O95352 1/20 0.42
UBA7 P41226 1/20 0.42
AURKB Q96GD4 1/20 0.42
AXL P30530 2/20 0.41
FLT3 P36888 2/20 0.41
TYRO3 Q06418 2/20 0.41
MERTK Q12866 2/20 0.41

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
SCHEMBL17875199 1.00 NAE1 (0.63) NAE1UBA3UBA6SAE1CA2
SCHEMBL193487 0.90 NAE1 (0.72) NAE1UBA3UBA6SAE1CA2
SCHEMBL193488 0.90 NAE1 (0.72) NAE1UBA3UBA6SAE1CA2
SCHEMBL193489 0.90 NAE1 (0.72) NAE1UBA3UBA6SAE1CA2
SCHEMBL17866015 0.88 NAE1 (0.58) NAE1UBA3UBA6SAE1CA2
SCHEMBL13191806 0.87 NAE1 (0.60) NAE1UBA3UBA6SAE1CA2
SCHEMBL21637843 0.86 NAE1 (0.60) NAE1UBA3UBA6SAE1CA2
SCHEMBL14447447 0.86 NAE1 (0.60) NAE1UBA3UBA6SAE1CA2
SCHEMBL22400280 0.86 NAE1 (0.61) NAE1UBA3UBA6SAE1CA2
SCHEMBL10235289 0.86 NAE1 (0.59) NAE1UBA3UBA6SAE1CA2

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