SCHEMBL31052385

SCHEMBL31052385

Cn1ccn([C@@H]2CCCN(c3ncc(C(N)=O)nn3)C2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 6/20 0.35
▸ JAK3 P52333 6/20 0.35
▸ BTK Q06187 3/20 0.35
▸ CAMK1D Q8IU85 12/20 0.33
▸ PIP5K1C O60331 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RIPK4 P57078 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAP2K5 Q13163 1/20 0.33
▸ CAMK1 Q14012 1/20 0.33
▸ MAP3K11 Q16584 1/20 0.33
▸ PNCK Q6P2M8 1/20 0.33
▸ CAMK1G Q96NX5 1/20 0.33
▸ EGFR P00533 5/20 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
SCHEMBL31052405 1.00 LCK (0.35) LCKJAK3BTKCAMK1DPIP5K1C
SCHEMBL31039919 0.84 JAK3 (0.41) LCKJAK3BTKEGFR
SCHEMBL30165854 0.83 CAMK1D (0.39) LCKJAK3BTKCAMK1DRIPK4
SCHEMBL30160681 0.81 JAK3 (0.52) LCKJAK3BTKEGFR
SCHEMBL30160759 0.81 JAK3 (0.52) LCKJAK3BTKEGFR
SCHEMBL30165824 0.79 BTK (0.37) LCKJAK3BTKCAMK1DPIP5K1C
SCHEMBL30165875 0.77 LCK (0.37) LCKJAK3BTKEGFR
SCHEMBL30165863 0.77 LCK (0.37) LCKJAK3BTKEGFR
SCHEMBL30165804 0.76 JAK3 (0.49) LCKJAK3BTKEGFR
SCHEMBL30160951 0.76 JAK3 (0.40) LCKJAK3BTKCAMK1DPIP5K1C

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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