SCHEMBL30160951

SCHEMBL30160951

CC(C)N1CCN(C2CCCN(c3ncc(C(N)=O)nn3)C2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.40
▸ LCK P06239 14/20 0.40
▸ EGFR P00533 7/20 0.40
▸ BTK Q06187 6/20 0.40
▸ NPY5R Q15761 1/20 0.37
▸ CAMK1D Q8IU85 4/20 0.36
▸ PIP5K1C O60331 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RIPK4 P57078 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAP2K5 Q13163 1/20 0.36
▸ CAMK1 Q14012 1/20 0.36
▸ MAP3K11 Q16584 1/20 0.36
▸ PNCK Q6P2M8 1/20 0.36
▸ CAMK1G Q96NX5 1/20 0.36

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
SCHEMBL30160681 0.86 JAK3 (0.52) JAK3LCKEGFRBTK
SCHEMBL30160759 0.86 JAK3 (0.52) JAK3LCKEGFRBTK
SCHEMBL30165804 0.84 JAK3 (0.49) JAK3LCKEGFRBTKNPY5R
SCHEMBL30165816 0.83 JAK3 (0.42) JAK3LCKEGFRBTK
SCHEMBL30165878 0.82 BTK (0.41) JAK3LCKEGFRBTKCAMK1D
SCHEMBL30165833 0.82 BTK (0.38) JAK3LCKEGFRBTKCAMK1D
SCHEMBL30161164 0.80 JAK3 (0.39) JAK3LCKEGFRBTKCAMK1D
SCHEMBL30160748 0.80 JAK3 (0.44) JAK3LCKEGFRBTKCAMK1D
SCHEMBL30165824 0.78 BTK (0.37) JAK3LCKBTKCAMK1DPIP5K1C
SCHEMBL30165875 0.78 LCK (0.37) JAK3LCKEGFRBTK

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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