SCHEMBL22609707

SCHEMBL22609707

O=C(O)NCCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.61
DDB1 Q16531 13/20 0.61
STAT3 P40763 3/20 0.56
CA2 P00918 2/20 0.54
DYRK2 Q92630 1/20 0.52
TNF P01375 1/20 0.52
IL1B P01584 1/20 0.52
TBXA2R P21731 1/20 0.52
IKZF1 Q13422 1/20 0.52
IKZF3 Q9UKT9 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL26611506 1.00 CRBN (0.61) CRBNDDB1STAT3CA2DYRK2
SCHEMBL31710113 0.99 CRBN (0.62) CRBNDDB1STAT3CA2DYRK2
SCHEMBL22609417 0.99 CRBN (0.62) CRBNDDB1STAT3CA2DYRK2
SCHEMBL21070053 0.91 CRBN (0.68) CRBNDDB1STAT3CA2TNF
SCHEMBL23292719 0.89 CRBN (0.66) CRBNDDB1STAT3TNFIL1B
SCHEMBL21224674 0.89 DDB1 (0.70) CRBNDDB1STAT3TNFIL1B
SCHEMBL30631253 0.88 CRBN (0.69) CRBNDDB1STAT3CA2DYRK2
SCHEMBL21070933 0.88 CRBN (0.69) CRBNDDB1STAT3CA2DYRK2
SCHEMBL21070296 0.88 CRBN (0.69) CRBNDDB1STAT3CA2DYRK2
SCHEMBL25036530 0.88 CRBN (0.60) CRBNDDB1STAT3CA2TNF

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-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed