SCHEMBL22940308

SCHEMBL22940308

O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCC(=O)N6CCCCC6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.59
IRAK1 P51617 2/20 0.54
IRAK4 Q9NWZ3 2/20 0.54
IRAK3 Q9Y616 2/20 0.54
AR P10275 4/20 0.51
BTK Q06187 3/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
NTRK3 Q16288 1/20 0.50
HASPIN Q8TF76 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
CDK9 P50750 1/20 0.48
ITK Q08881 1/20 0.46
EGFR P00533 1/20 0.46
HPGDS O60760 1/20 0.45
RAF1 P04049 2/20 0.44
DDB1 Q16531 3/20 0.44

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
SCHEMBL22940923 0.94 CRBN (0.67) CRBNIRAK1IRAK4IRAK3BTK
SCHEMBL22941210 0.90 CRBN (0.60) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL24142015 0.86 CRBN (0.58) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL26814219 0.86 CRBN (0.62) CRBNIRAK1IRAK4IRAK3BTK
SCHEMBL30938263 0.86 CRBN (0.62) CRBNIRAK1IRAK4IRAK3BTK
SCHEMBL20046436 0.85 CRBN (0.74) CRBNARBTKCDK9DDB1
SCHEMBL30160860 0.85 CRBN (0.74) CRBNARBTKCDK9DDB1
SCHEMBL27176460 0.85 CRBN (0.65) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL27176462 0.85 CRBN (0.65) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL25504412 0.85 CRBN (0.65) CRBNIRAK1IRAK4IRAK3AR

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-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 WO disclosed