SCHEMBL30165882

SCHEMBL30165882

NC(=O)c1cnc(N2CCCC(n3cc4ccccn4c3=O)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 10/20 0.40
▸ JAK3 P52333 10/20 0.40
▸ BTK Q06187 7/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ EED O75530 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ EGFR P00533 5/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL31039919 0.79 JAK3 (0.41) LCKJAK3BTKHRH3EGFR
SCHEMBL30165812 0.76 FAAH (0.47) LCKJAK3BTKHRH3
SCHEMBL30161265 0.75 JAK3 (0.46) LCKJAK3BTKHRH3EGFR
SCHEMBL30160837 0.75 JAK3 (0.51) LCKJAK3BTKEGFR
SCHEMBL24832869 0.75 BTK (0.37) LCKJAK3BTKMAP4K4IRAK4
SCHEMBL24832871 0.75 BTK (0.46) LCKJAK3BTKIRAK4
SCHEMBL24834062 0.74 JAK3 (0.61) LCKJAK3BTKEGFR
SCHEMBL30161234 0.73 LCK (0.45) LCKJAK3BTKHRH3EGFR
SCHEMBL31039905 0.73 JAK3 (0.42) LCKJAK3BTKHRH3EGFR
SCHEMBL29931205 0.72 JAK3 (0.59) 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 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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