SCHEMBL2740595

SCHEMBL2740595

NS(=O)(=O)OC[C@H]1CC[C@H](n2ccc3c(NCc4cccc(Cl)c4)ncnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.49
METTL14 Q9HCE5 1/20 0.49
NAE1 Q13564 2/20 0.45
CA2 P00918 2/20 0.45
GRK5 P34947 1/20 0.45
CSNK1A1 P48729 1/20 0.45
UBA6 A0AVT1 1/20 0.45
NEDD8 Q15843 1/20 0.45
UBA3 Q8TBC4 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
ADORA3 P0DMS8 6/20 0.45
ADORA2A P29274 6/20 0.45
ADORA1 P30542 5/20 0.45
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42

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
SCHEMBL10233932 0.90 CA2 (0.46) METTL3METTL14NAE1CA2GRK5
SCHEMBL10293821 0.90 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL13192031 0.89 NAE1 (0.44) METTL3METTL14NAE1CA2GRK5
SCHEMBL2740570 0.87 NAE1 (0.44) METTL3METTL14NAE1CA2GRK5
SCHEMBL191182 0.85 NAE1 (0.61) METTL3METTL14NAE1CA2GRK5
SCHEMBL10236878 0.85 NAE1 (0.43) METTL3METTL14NAE1CA2GRK5
SCHEMBL10293824 0.85 NAE1 (0.48) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL14447556 0.85 NAE1 (0.45) METTL3METTL14NAE1CA2GRK5
SCHEMBL10242205 0.84 NAE1 (0.49) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL2740568 0.84 NAE1 (0.47) 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 2 patents. 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
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed