SCHEMBL28958124

SCHEMBL28958124

CC(C)(C)OC(=O)N1CCC(C)(c2ccc(Nc3nc(N4CCCC(N5CCN(C6CCCC6)C5=O)C4)cnc3C(N)=O)cc2)CC1c1ccc(Nc2nc(N3CCCC(N4CCN(C5CCCC5)C4=O)C3)cnc2C(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 19/20 0.69
▸ JAK3 P52333 19/20 0.69
▸ BTK Q06187 5/20 0.69
▸ EGFR P00533 13/20 0.64

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
SCHEMBL27175801 0.89 JAK3 (0.77) LCKJAK3BTKEGFR
SCHEMBL30160639 0.89 JAK3 (0.77) LCKJAK3BTKEGFR
SCHEMBL21946717 0.84 JAK3 (0.81) LCKJAK3BTKEGFR
SCHEMBL16764820 0.82 JAK3 (1.00) LCKJAK3BTKEGFR
SCHEMBL16763691 0.82 JAK3 (1.00) LCKJAK3BTKEGFR
SCHEMBL24832855 0.81 JAK3 (0.82) LCKJAK3BTKEGFR
SCHEMBL24834057 0.81 JAK3 (0.81) LCKJAK3BTKEGFR
SCHEMBL21946886 0.79 JAK3 (0.75) LCKJAK3BTKEGFR
SCHEMBL16763613 0.79 JAK3 (1.00) LCKJAK3BTKEGFR
SCHEMBL16763612 0.79 JAK3 (1.00) 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-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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