SCHEMBL30165812

SCHEMBL30165812

Cn1c(=O)n(C2CCCN(c3cnc(C(N)=O)cn3)C2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.47
▸ LCK P06239 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ HSD11B1 P28845 1/20 0.41
▸ PIK3CA P42336 7/20 0.40
▸ PRKDC P78527 5/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL31039919 0.78 JAK3 (0.41) LCKJAK3BTKHRH3
SCHEMBL29931205 0.77 JAK3 (0.59) LCKJAK3BTK
SCHEMBL28647032 0.77 JAK3 (0.59) LCKJAK3BTK
SCHEMBL30165882 0.76 LCK (0.40) LCKJAK3BTKHRH3
SCHEMBL30160837 0.76 JAK3 (0.51) LCKJAK3BTK
SCHEMBL30161265 0.76 JAK3 (0.46) LCKJAK3BTKHRH3
SCHEMBL30161258 0.75 LCK (0.43) LCKJAK3BTKHRH3
SCHEMBL30160867 0.75 JAK3 (0.42) LCKJAK3BTKHRH3
SCHEMBL30160933 0.75 JAK3 (0.42) LCKJAK3BTKHRH3
SCHEMBL30160878 0.74 LCK (0.42) LCKJAK3BTK

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-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 — — CN disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 — — CN disclosed
Send feedback