SCHEMBL25830951

SCHEMBL25830951

CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)[nH]c2nc[nH]c(=O)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
JAK1 P23458 3/20 0.44
JAK2 O60674 2/20 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
WNT3A P56704 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RY14 Q15391 1/20 0.42
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL31017624 1.00 DDB1 (0.49) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL25831121 0.94 PDE4B (0.50) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL31017628 0.94 PDE4B (0.50) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL25830811 0.93 TLR8 (0.50) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL31188127 0.93 TLR8 (0.50) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL25831682 0.85 DDB1 (0.49) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL31017634 0.80 PDE4B (0.50) DDB1CRBNMAPTTLR9TLR8
SCHEMBL25831131 0.80 PDE4B (0.50) DDB1CRBNMAPTTLR9TLR8
SCHEMBL31110468 0.78 DDB1 (0.50) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL31017635 0.77 JAK2 (0.55) DDB1CRBNTLR9TLR8TLR7

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-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