SCHEMBL30160933

SCHEMBL30160933

CN1C(=O)N(C2CCCN(c3cnc(C(N)=O)cn3)C2)C2CCCC21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.42
▸ LCK P06239 16/20 0.42
▸ BTK Q06187 5/20 0.42
▸ EGFR P00533 9/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL30160867 0.98 JAK3 (0.42) JAK3LCKBTKEGFRHRH3
SCHEMBL28647032 0.82 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL29931205 0.82 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL30160837 0.80 JAK3 (0.51) JAK3LCKBTKEGFR
SCHEMBL30161265 0.80 JAK3 (0.46) JAK3LCKBTKEGFRHRH3
SCHEMBL31039905 0.78 JAK3 (0.42) JAK3LCKBTKEGFRHRH3
SCHEMBL30161234 0.78 LCK (0.45) JAK3LCKBTKEGFRHRH3
SCHEMBL31039919 0.78 JAK3 (0.41) JAK3LCKBTKEGFRHRH3
SCHEMBL30161258 0.78 LCK (0.43) JAK3LCKBTKEGFRHRH3
SCHEMBL30160878 0.77 LCK (0.42) JAK3LCKBTKEGFR

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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