SCHEMBL30160804

SCHEMBL30160804

NC(=O)c1cnc(N2CCCC(N3CCN(c4cccnc4)C3=O)C2)nn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.40
▸ CAMK1D Q8IU85 4/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ BTK Q06187 5/20 0.38
▸ LCK P06239 5/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SCN9A Q15858 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL30160748 0.91 JAK3 (0.44) JAK3CAMK1DGRM5BTKLCK
SCHEMBL30165823 0.86 JAK3 (0.46) JAK3CAMK1DGRM5BTKLCK
SCHEMBL30165869 0.83 SCN9A (0.47) JAK3BTKLCKSCN9A
SCHEMBL30160681 0.80 JAK3 (0.52) JAK3BTKLCKEGFR
SCHEMBL30160759 0.80 JAK3 (0.52) JAK3BTKLCKEGFR
SCHEMBL30165816 0.79 JAK3 (0.42) JAK3BTKLCKEGFR
SCHEMBL30165878 0.78 BTK (0.41) JAK3CAMK1DBTKLCKEGFR
SCHEMBL30160951 0.77 JAK3 (0.40) JAK3CAMK1DBTKLCKEGFR
SCHEMBL30165804 0.77 JAK3 (0.49) JAK3BTKLCKEGFR
SCHEMBL30165833 0.77 BTK (0.38) JAK3CAMK1DBTKLCKPIM1

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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