SCHEMBL22940443

SCHEMBL22940443

O=C1CCC(N2C(=O)c3ccc(N4CCN(c5ccc(CCCC(=O)N6CCCCC6)cc5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.63
DDB1 Q16531 11/20 0.48
GSPT1 P15170 1/20 0.47
HPGDS O60760 2/20 0.47
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.44
OPRM1 P35372 1/20 0.44
IKZF3 Q9UKT9 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IRAK1 P51617 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
IRAK3 Q9Y616 2/20 0.44
PLK4 O00444 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
NTRK3 Q16288 1/20 0.43
HASPIN Q8TF76 1/20 0.43
CDK19 Q9BWU1 1/20 0.43

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 0.87 CRBN (0.67) CRBNDDB1HPGDSALDH1A1CHRM2
SCHEMBL22941210 0.83 CRBN (0.60) CRBNDDB1HPGDSIRAK1IRAK4
SCHEMBL22940303 0.83 CRBN (0.60) CRBNDDB1HPGDSALDH1A1IRAK1
SCHEMBL24926143 0.82 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21946755 0.82 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21946896 0.82 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21946754 0.82 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30066311 0.82 CRBN (0.93) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22940308 0.82 CRBN (0.59) CRBNDDB1HPGDSIRAK1IRAK4
SCHEMBL26815156 0.81 CRBN (0.61) CRBNDDB1HPGDSALDH1A1CHRM2

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