SCHEMBL24671633

SCHEMBL24671633

O=C(O)CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 4/20 0.47
▸ CRBN Q96SW2 5/20 0.44
▸ DDB1 Q16531 3/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ CA2 P00918 2/20 0.44
▸ BCL2 P10415 2/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ PDE6D O43924 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ IRAK3 Q9Y616 3/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL24671771 0.99 STAT3 (0.48) STAT3CRBNDDB1DYRK2CA2
SCHEMBL24979657 0.99 STAT3 (0.48) STAT3CRBNDDB1DYRK2CA2
SCHEMBL23946161 0.92 STAT3 (0.48) STAT3CRBNDDB1DYRK2CA2
SCHEMBL23915711 0.91 CRBN (0.47) STAT3CRBNDDB1CA2HDAC1
SCHEMBL22511915 0.89 STAT3 (0.47) STAT3CRBNDDB1DYRK2CA2
SCHEMBL20260253 0.88 CRBN (0.51) STAT3CRBNDDB1DYRK2CA2
SCHEMBL22959685 0.87 STAT3 (0.44) STAT3CRBNDDB1DYRK2CA2
SCHEMBL26366310 0.86 STAT3 (0.44) STAT3CRBNDDB1DYRK2CA2
SCHEMBL23945868 0.86 CRBN (0.48) STAT3CRBNDDB1DYRK2CA2
SCHEMBL23915176 0.85 CRBN (0.46) STAT3CRBNDDB1CA2HDAC1

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
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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