SCHEMBL29083592

SCHEMBL29083592

Brc1ccc2nn(C3C[CH]C3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
BACE1 P56817 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
NPM1 P06748 1/20 0.34
ALK Q9UM73 1/20 0.34
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PABPC1 P11940 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL11890643 0.87 TLR8 (0.44) TLR8BACE1NPC1RAB9AHTT
SCHEMBL21810482 0.83 TLR8 (0.36) TLR8BACE1NPC1RAB9AHTT
SCHEMBL27006138 0.81 HDAC8 (0.36) TLR8BACE1NPC1RAB9AHTT
SCHEMBL27007121 0.81 TLR8 (0.41) TLR8BACE1NPC1RAB9AHTT
SCHEMBL25339190 0.80 TLR8 (0.40) TLR8BACE1NPC1RAB9AHTT
SCHEMBL20135108 0.80 TLR8 (0.57) TLR8HTT
SCHEMBL30122249 0.80 IRAK4 (0.41) TLR8HTTMAPTALDH1A1
SCHEMBL25338343 0.79 TLR8 (0.44) TLR8BACE1NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL30508248 0.79 TLR8 (0.56) TLR8HTT
SCHEMBL25911938 0.79 TLR8 (0.44) TLR8NPC1RAB9AHTTMAPT

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-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
CN-116669722-A Interleukin-1 receptor-related kinase (IRAK) degradants and uses thereof 凯麦拉医疗公司 2023-08-29 CN disclosed