SCHEMBL17875188

SCHEMBL17875188

O[C@@H]1CC[C@@H](n2ccc3c(N[C@H]4CCOc5ccccc54)ncnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 2/20 0.47
CA2 P00918 2/20 0.47
GRK5 P34947 1/20 0.47
CSNK1A1 P48729 1/20 0.47
UBA6 A0AVT1 1/20 0.47
NEDD8 Q15843 1/20 0.47
UBA3 Q8TBC4 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ABL2 P42684 1/20 0.40
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL17866059 0.86 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17875199 0.84 NAE1 (0.63) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17875185 0.84 NAE1 (0.63) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL10004920 0.81 NAE1 (0.59) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL10004923 0.80 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL192900 0.79 NAE1 (0.78) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL18859878 0.79 NAE1 (0.78) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17875203 0.76 PRMT5 (0.47) NAE1CA2GRK5CSNK1A1ABL1
SCHEMBL193487 0.74 NAE1 (0.72) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL193489 0.74 NAE1 (0.72) NAE1CA2GRK5CSNK1A1UBA6

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