SCHEMBL29124803

SCHEMBL29124803

C=C(C)C(=O)NC1CCCN(c2cnccc2-c2ccc(CNC(=O)c3cc(C(C)(C)C)no3)c(C)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.42
▸ DGAT2 Q96PD7 4/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ ROCK1 Q13464 2/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ ROCK2 O75116 3/20 0.33
▸ CYP46A1 Q9Y6A2 1/20 0.33
▸ MAPK13 O15264 1/20 0.32

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
SCHEMBL29124729 0.89 BTK (0.43) BTKDGAT2ROCK1RAF1BRAF
SCHEMBL29124841 0.87 BTK (0.45) BTKDGAT2
SCHEMBL29124748 0.87 BTK (0.45) BTK
SCHEMBL29124851 0.87 BTK (0.36) BTKDGAT2ROCK1CDC42BPBROCK2
SCHEMBL29124692 0.85 BTK (0.36) BTKDGAT2ROCK1CDC42BPB
SCHEMBL29124702 0.85 BTK (0.39) BTKDGAT2ROCK1CDC42BPBROCK2
SCHEMBL29124700 0.84 DGAT2 (0.35) BTKDGAT2ROCK1CDC42BPBROCK2
SCHEMBL29124664 0.83 BTK (0.45) BTKDGAT2
SCHEMBL29124666 0.83 BTK (0.45) BTKDGAT2
SCHEMBL29124627 0.83 BTK (0.45) BTKDGAT2

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-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 — — CN disclosed
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