SCHEMBL29124627

SCHEMBL29124627

C=C(C)C(=O)N[C@@H]1CCCN(c2cnccc2-c2ccc(CNC(=O)c3cn(C(C)(C)C)nn3)c(C)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.45
▸ CRBN Q96SW2 1/20 0.38
▸ KLKB1 P03952 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ CD69 Q07108 4/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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 1.00 BTK (0.45) BTKCRBNKLKB1DGAT2CD69
SCHEMBL29124666 1.00 BTK (0.45) BTKCRBNKLKB1DGAT2CD69
SCHEMBL29124675 0.98 BTK (0.45) BTKCRBNKLKB1DGAT2CD69
SCHEMBL29124753 0.96 BTK (0.46) BTKCRBNKLKB1DGAT2CD69
SCHEMBL25215337 0.91 BTK (0.48) BTKCRBNKLKB1DGAT2
SCHEMBL29418442 0.91 BTK (0.48) BTKCRBNKLKB1DGAT2
SCHEMBL29124852 0.91 BTK (0.48) BTKCRBNKLKB1DGAT2
SCHEMBL25271307 0.91 BTK (0.48) BTKCRBNKLKB1DGAT2
SCHEMBL29418428 0.91 BTK (0.48) BTKCRBNKLKB1DGAT2
SCHEMBL29124717 0.90 BTK (0.44) BTKCRBNKLKB1

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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