SCHEMBL30161258

SCHEMBL30161258

CN1C(=O)N(C2CCCN(c3cnc(C(N)=O)cn3)C2)CC12CC2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 18/20 0.43
▸ JAK3 P52333 18/20 0.43
▸ BTK Q06187 4/20 0.43
▸ EGFR P00533 11/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL30160878 0.97 LCK (0.42) LCKJAK3BTKEGFR
SCHEMBL30165875 0.85 LCK (0.37) LCKJAK3BTKEGFR
SCHEMBL30165863 0.85 LCK (0.37) LCKJAK3BTKEGFR
SCHEMBL30165859 0.82 LCK (0.36) LCKJAK3BTKEGFR
SCHEMBL29931205 0.82 JAK3 (0.59) LCKJAK3BTKEGFR
SCHEMBL28647032 0.82 JAK3 (0.59) LCKJAK3BTKEGFR
SCHEMBL30160837 0.81 JAK3 (0.51) LCKJAK3BTKEGFR
SCHEMBL30161265 0.81 JAK3 (0.46) LCKJAK3BTKEGFRHRH3
SCHEMBL31039905 0.79 JAK3 (0.42) LCKJAK3BTKEGFRHRH3
SCHEMBL30161234 0.79 LCK (0.45) LCKJAK3BTKEGFRHRH3

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 3 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
WO-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 — — WO 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
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