SCHEMBL17865976

SCHEMBL17865976

CN([C@H]1C[C@@H](n2ccc3c(NCc4ccc(Cl)c(Cl)c4)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCR2 P41597 1/20 0.44
METTL3 Q86U44 1/20 0.43
METTL14 Q9HCE5 1/20 0.43
PRMT5 O14744 6/20 0.41
WDR77 Q9BQA1 6/20 0.41
AURKA O14965 2/20 0.41
RPS6KB1 P23443 2/20 0.41
PIP4K2A P48426 1/20 0.40
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
NAE1 Q13564 2/20 0.38
CA2 P00918 2/20 0.38
GRK5 P34947 1/20 0.38
CSNK1A1 P48729 1/20 0.38
UBA6 A0AVT1 1/20 0.38
NEDD8 Q15843 1/20 0.38

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
SCHEMBL17865921 0.91 METTL3 (0.54) CCNA2CDK2CDK5CDK5R1METTL3
SCHEMBL17865958 0.91 TP53 (0.45) METTL3METTL14PRMT5WDR77NAE1
SCHEMBL17865956 0.88 NAE1 (0.43) METTL3METTL14PRMT5NAE1CA2
SCHEMBL17865944 0.86 PDE5A (0.49) AURKARPS6KB1
SCHEMBL17865975 0.85 NAE1 (0.45) CCNA2CDK2CDK5CDK5R1CCR2
SCHEMBL17865979 0.84 METTL3 (0.40) CCNA2CDK2CDK5CDK5R1METTL3
SCHEMBL17865917 0.83 UBA6 (0.42) CCNA2CDK2CDK5CDK5R1METTL3
SCHEMBL17866048 0.83 METTL3 (0.45) CCNA2CDK2CDK5CDK5R1METTL3
SCHEMBL17865973 0.83 UBA6 (0.42) PRMT5WDR77PIP4K2ANAE1CA2
SCHEMBL17865924 0.82 UBA6 (0.38) METTL3METTL14PRMT5WDR77PIP4K2A

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