SCHEMBL30165823

SCHEMBL30165823

NC(=O)c1cnc(N2CCCC(N3CCN(c4cccc(F)c4)C3=O)C2)nn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.46
▸ CAMK1D Q8IU85 5/20 0.43
▸ GRM5 P41594 1/20 0.40
▸ LCK P06239 3/20 0.37
▸ BTK Q06187 3/20 0.37
▸ F10 P00742 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SCN9A Q15858 2/20 0.35

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 0.89 JAK3 (0.44) JAK3CAMK1DGRM5LCKBTK
SCHEMBL30160804 0.86 JAK3 (0.40) JAK3CAMK1DGRM5LCKBTK
SCHEMBL30165869 0.85 SCN9A (0.47) JAK3LCKBTKSCN9A
SCHEMBL30160681 0.78 JAK3 (0.52) JAK3LCKBTK
SCHEMBL30160759 0.78 JAK3 (0.52) JAK3LCKBTK
SCHEMBL30165833 0.78 BTK (0.38) JAK3CAMK1DLCKBTK
SCHEMBL30165816 0.77 JAK3 (0.42) JAK3LCKBTK
SCHEMBL30165878 0.77 BTK (0.41) JAK3CAMK1DLCKBTK
SCHEMBL30160951 0.76 JAK3 (0.40) JAK3CAMK1DLCKBTK
SCHEMBL30165804 0.76 JAK3 (0.49) JAK3LCKBTK

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
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