SCHEMBL10005034

SCHEMBL10005034

CC1(C)C[C@H](Nc2ncnc3c2ccn3[C@@H]2CC[C@@](O)(COS(N)(=O)=O)C2)c2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 15/20 0.44
▸ UBA3 Q8TBC4 14/20 0.44
▸ CA2 P00918 2/20 0.44
▸ GRK5 P34947 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ UBA6 A0AVT1 1/20 0.44
▸ NEDD8 Q15843 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44
▸ UBA1 P22314 1/20 0.36
▸ PIP4K2A P48426 1/20 0.36
▸ PRMT5 O14744 2/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32

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
SCHEMBL10233944 0.84 NAE1 (0.48) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL191755 0.83 NAE1 (0.63) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17865937 0.81 NAE1 (0.44) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17865938 0.81 NAE1 (0.44) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17865981 0.77 NAE1 (0.47) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL12984837 0.76 UBA6 (0.43) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17865982 0.75 NAE1 (0.41) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL12984834 0.75 NAE1 (0.39) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL10233939 0.74 NAE1 (0.56) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL13193538 0.74 NAE1 (0.56) NAE1UBA3CA2GRK5CSNK1A1

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-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 — — EP disclosed
Send feedback