Ixazomib

Ixazomib

SCHEMBL29454797

[2H]N(C(=O)CNC(=O)c1cc(Cl)ccc1Cl)[C@@H](CC(C)C)B(O)O

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRM1PSMA1PSMA2PSMA3PSMA4PSMA5PSMA6PSMA7PSMA8PSMB1PSMB10PSMB11PSMB2PSMB3PSMB4PSMB5PSMB6PSMB7PSMB8PSMB9PSMC1PSMC2PSMC3PSMC4PSMC5PSMC6PSMD1PSMD11PSMD12PSMD13PSMD14PSMD2PSMD3PSMD4PSMD6PSMD7PSMD8SEM1

The experimentally established mechanism targets of Ixazomib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 known ✓ P28074 19/20 0.81
PSMB8 known ✓ P28062 7/20 0.81
PSMB9 known ✓ P28065 7/20 0.81
PSMB6 known ✓ P28072 7/20 0.81
PSMB10 known ✓ P40306 7/20 0.81
PSMB11 known ✓ A5LHX3 6/20 0.81
PSMA7 known ✓ O14818 6/20 0.81
PSMB1 known ✓ P20618 6/20 0.81
PSMA1 known ✓ P25786 6/20 0.81
PSMA2 known ✓ P25787 6/20 0.81
PSMA3 known ✓ P25788 6/20 0.81
PSMA4 known ✓ P25789 6/20 0.81
PSMA5 known ✓ P28066 6/20 0.81
PSMB4 known ✓ P28070 6/20 0.81
PSMB3 known ✓ P49720 6/20 0.81
PSMB2 known ✓ P49721 6/20 0.81
PSMA6 known ✓ P60900 6/20 0.81
PSMA8 known ✓ Q8TAA3 6/20 0.81
PSMB7 known ✓ Q99436 6/20 0.81
NFKB1 P19838 1/20 0.81

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
Ixazomib SCHEMBL29353014 0.90 PSMB5 (1.00) PSMB5PSMB8PSMB9PSMB6PSMB10
Ixazomib SCHEMBL18088836 0.90 PSMB5 (1.00) PSMB5PSMB8PSMB9PSMB6PSMB10
Ixazomib SCHEMBL3742758 0.90 PSMB5 (1.00) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL12391076 0.84 PSMB5 (0.84) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL16620476 0.82 PSMB5 (0.73) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL3753435 0.82 PSMB5 (0.85) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL15721497 0.81 PSMB5 (0.80) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL253622 0.81 PSMB5 (0.83) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL22604863 0.81 PSMB5 (0.83) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL28826826 0.81 PSMB5 (0.82) PSMB5PSMB8PSMB9PSMB6PSMB10

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-3980078-A1 COMBINATION THERAPY COMPRISING AN ANTI-CD25 ANTIBODY DRUG CONJUGATE AND A FURTHER AGENT ADC Therapeutics SA (CH) 2022-04-13 EP disclosed
EP-3980079-A1 COMBINATION THERAPY COMPRISING AN ANTI-CD19 ANTIBODY DRUG CONJUGATE AND A PI3K INHIBITOR OR A SECONDARY AGENT ADC Therapeutics SA (CH) 2022-04-13 EP disclosed