SCHEMBL29124700

SCHEMBL29124700

C=C(C)C(=O)NC1CCCN(c2cnccc2-c2ccc(CNC(=O)c3ccn(C(C)(C)C)n3)c(C)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 7/20 0.35
▸ BTK Q06187 8/20 0.35
▸ ROCK1 Q13464 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ROCK2 O75116 1/20 0.31
▸ CYP46A1 Q9Y6A2 2/20 0.31

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
SCHEMBL29124664 0.90 BTK (0.45) DGAT2BTK
SCHEMBL29124666 0.90 BTK (0.45) DGAT2BTK
SCHEMBL29124627 0.90 BTK (0.45) DGAT2BTK
SCHEMBL29124702 0.89 BTK (0.39) DGAT2BTKROCK1CDC42BPBROCK2
SCHEMBL29124675 0.88 BTK (0.45) DGAT2BTK
SCHEMBL29124808 0.87 BTK (0.36) DGAT2BTKROCK1CDC42BPBMAPT
SCHEMBL29124729 0.87 BTK (0.43) DGAT2BTKROCK1CDC42BPBROCK2
SCHEMBL29124753 0.86 BTK (0.46) DGAT2BTK
SCHEMBL29124692 0.85 BTK (0.36) DGAT2BTKROCK1CDC42BPB
SCHEMBL29124803 0.84 BTK (0.42) DGAT2BTKROCK1CDC42BPBROCK2

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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