SCHEMBL22940923

SCHEMBL22940923

O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC(=O)N5CCCCC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.67
IRAK1 P51617 2/20 0.51
IRAK4 Q9NWZ3 2/20 0.51
IRAK3 Q9Y616 2/20 0.51
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
NTRK3 Q16288 1/20 0.51
HASPIN Q8TF76 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
DDB1 Q16531 10/20 0.48
HPGDS O60760 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 1/20 0.47
OPRM1 P35372 1/20 0.47
IKZF3 Q9UKT9 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BTK Q06187 1/20 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
SCHEMBL22940308 0.94 CRBN (0.59) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL22941210 0.93 CRBN (0.60) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26814219 0.91 CRBN (0.62) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL30938263 0.91 CRBN (0.62) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26815469 0.88 CRBN (0.60) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26815047 0.88 CRBN (0.60) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL23705499 0.88 CRBN (0.70) CRBNDDB1HPGDSALDH1A1CHRM2
SCHEMBL29617045 0.88 CRBN (0.70) CRBNDDB1HPGDSALDH1A1CHRM2
SCHEMBL22940443 0.87 CRBN (0.63) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL30619696 0.87 CRBN (0.74) CRBNDDB1ALDH1A1CHRM2OPRM1

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