SCHEMBL29124808

SCHEMBL29124808

C=C(C)C(=O)NC1CCCN(c2cnccc2-c2ccc(CNC(=O)c3cn(C(C)(C)C)cn3)c(C)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.36
▸ ROCK1 Q13464 1/20 0.34
▸ CDC42BPB Q9Y5S2 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ DGAT2 Q96PD7 4/20 0.34
▸ RET P07949 1/20 0.32
▸ MAPT P10636 1/20 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
SCHEMBL29124627 0.88 BTK (0.45) BTKKLKB1DGAT2
SCHEMBL29124664 0.88 BTK (0.45) BTKKLKB1DGAT2
SCHEMBL29124666 0.88 BTK (0.45) BTKKLKB1DGAT2
SCHEMBL29124700 0.87 DGAT2 (0.35) BTKROCK1CDC42BPBDGAT2MAPT
SCHEMBL29124702 0.87 BTK (0.39) BTKROCK1CDC42BPBKLKB1DGAT2
SCHEMBL29124729 0.87 BTK (0.43) BTKROCK1CDC42BPBDGAT2
SCHEMBL29124675 0.86 BTK (0.45) BTKKLKB1DGAT2
SCHEMBL29124692 0.85 BTK (0.36) BTKROCK1CDC42BPBDGAT2
SCHEMBL29124851 0.85 BTK (0.36) BTKROCK1CDC42BPBDGAT2
SCHEMBL29124753 0.84 BTK (0.46) BTKKLKB1DGAT2

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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