SCHEMBL31052397

SCHEMBL31052397

NC(=O)c1cnc(N2CCCC(N3CC4=CCCN4C3=O)C2)nn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 10/20 0.33
▸ JAK3 P52333 10/20 0.33
▸ BTK Q06187 6/20 0.33
▸ CAMK1D Q8IU85 7/20 0.32
▸ DGAT2 Q96PD7 1/20 0.31
▸ EGFR P00533 5/20 0.31
▸ MAP4K4 O95819 1/20 0.30

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
SCHEMBL30160759 0.79 JAK3 (0.52) LCKJAK3BTKEGFR
SCHEMBL30160681 0.79 JAK3 (0.52) LCKJAK3BTKEGFR
SCHEMBL30160748 0.78 JAK3 (0.44) LCKJAK3BTKCAMK1DEGFR
SCHEMBL30165816 0.78 JAK3 (0.42) LCKJAK3BTKEGFR
SCHEMBL30165824 0.77 BTK (0.37) LCKJAK3BTKCAMK1DMAP4K4
SCHEMBL30165878 0.77 BTK (0.41) LCKJAK3BTKCAMK1DEGFR
SCHEMBL30165869 0.76 SCN9A (0.47) LCKJAK3BTK
SCHEMBL30160951 0.76 JAK3 (0.40) LCKJAK3BTKCAMK1DEGFR
SCHEMBL30165833 0.76 BTK (0.38) LCKJAK3BTKCAMK1DEGFR
SCHEMBL30165804 0.76 JAK3 (0.49) LCKJAK3BTKEGFR

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 1 patent. 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
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