SCHEMBL25830811

SCHEMBL25830811

CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]c4nc[nH]c(=O)c4c3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.50
TLR7 Q9NYK1 6/20 0.50
TLR9 Q9NR96 5/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
JAK1 P23458 2/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
NAMPT P43490 1/20 0.44
PDE4B Q07343 1/20 0.43
ALK Q9UM73 1/20 0.43
WNT3A P56704 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD3 Q15059 1/20 0.42
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL31188127 1.00 TLR8 (0.50) TLR8TLR7TLR9DDB1CRBN
SCHEMBL31017624 0.93 DDB1 (0.49) TLR8TLR7TLR9DDB1CRBN
SCHEMBL25830951 0.93 DDB1 (0.49) TLR8TLR7TLR9DDB1CRBN
SCHEMBL31017628 0.87 PDE4B (0.50) TLR8TLR7TLR9DDB1CRBN
SCHEMBL25831121 0.87 PDE4B (0.50) TLR8TLR7TLR9DDB1CRBN
SCHEMBL25831682 0.83 DDB1 (0.49) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL25830759 0.83 ALK (0.55) MAPTNAMPTALKWNT3AMEN1
SCHEMBL31017632 0.83 ALK (0.55) MAPTNAMPTALKWNT3AMEN1
SCHEMBL31110468 0.80 DDB1 (0.50) TLR8TLR7TLR9DDB1CRBN
SCHEMBL31017627 0.77 CNR1 (0.48) JAK1NAMPTALKWNT3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118414336-A Degradation of Bruton Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2024-07-30 CN disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed