SCHEMBL17865920

SCHEMBL17865920

O=S(=O)(O)NC[C@@H]1C[C@@H](n2ccc3c(NCc4cccc(Cl)c4)ncnc32)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.55
METTL14 Q9HCE5 1/20 0.55
ADORA3 P0DMS8 6/20 0.48
ADORA2A P29274 6/20 0.48
ADORA1 P30542 5/20 0.48
NAE1 Q13564 2/20 0.46
CA2 P00918 2/20 0.46
GRK5 P34947 1/20 0.46
CSNK1A1 P48729 1/20 0.46
UBA6 A0AVT1 1/20 0.46
NEDD8 Q15843 1/20 0.46
UBA3 Q8TBC4 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45

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
SCHEMBL17865957 0.91 NAE1 (0.46) METTL3METTL14ADORA3ADORA2AADORA1
SCHEMBL17865955 0.90 NAE1 (0.51) METTL3METTL14NAE1CA2GRK5
SCHEMBL17865975 0.90 NAE1 (0.45) METTL3METTL14ADORA3ADORA2AADORA1
SCHEMBL191182 0.87 NAE1 (0.61) METTL3METTL14ADORA3ADORA2AADORA1
SCHEMBL17865977 0.86 NAE1 (0.43) METTL3METTL14ADORA3NAE1CA2
SCHEMBL17865942 0.84 KDM4E (0.48) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865921 0.84 METTL3 (0.54) METTL3METTL14ADORA3ADORA2AADORA1
SCHEMBL17866003 0.83 NAE1 (0.48) ADORA3ADORA2AADORA1NAE1CA2
SCHEMBL17865916 0.83 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865972 0.82 NAE1 (0.51) METTL3NAE1CA2GRK5CSNK1A1

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 claimed