SCHEMBL22940441

SCHEMBL22940441

CN(C/C=C/C(=O)N1CCCCC1)CCOCCOCCN1C(=O)CCC(N2Cc3c(N)cccc3C2=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.40
TNF P01375 2/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
BRD4 O60885 1/20 0.37
IL1B P01584 1/20 0.37
IKZF1 Q13422 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
HDAC1 Q13547 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30
EGFR P00533 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL22941146 1.00 MAP1LC3B (0.40) MAP1LC3BTNFDDB1CRBNBRD4
SCHEMBL22940207 0.90 MAP1LC3B (0.40) MAP1LC3BTNFDDB1CRBNBRD4
SCHEMBL22941341 0.90 MAP1LC3B (0.40) MAP1LC3BTNFDDB1CRBNBRD4
SCHEMBL22940348 0.78 BTK (0.60) EGFRBTK
SCHEMBL22940346 0.78 BTK (0.60) EGFRBTK
SCHEMBL12072673 0.71 CRBN (0.56) MAP1LC3BTNFDDB1CRBNBRD4
SCHEMBL22940895 0.71 CRBN (0.49) MAP1LC3BTNFDDB1CRBNBRD4
SCHEMBL22941130 0.71 CRBN (0.53) MAP1LC3BTNFDDB1CRBNBRD4
Hydrochloric Acid SCHEMBL19359338 0.71 CRBN (0.55) MAP1LC3BTNFDDB1CRBNBRD4
SCHEMBL25834806 0.70 CRBN (0.54) MAP1LC3BTNFDDB1CRBNBRD4

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