SCHEMBL29124675

SCHEMBL29124675

C=C(C)C(=O)N[C@@H]1CCCCN(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
▸ CD69 Q07108 4/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ DGAT2 Q96PD7 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 0.98 BTK (0.45) BTKCRBNCD69CYP3A4CYP2C9
SCHEMBL29124666 0.98 BTK (0.45) BTKCRBNCD69CYP3A4CYP2C9
SCHEMBL29124627 0.98 BTK (0.45) BTKCRBNCD69CYP3A4CYP2C9
SCHEMBL29124753 0.95 BTK (0.46) BTKCRBNCD69KLKB1DGAT2
SCHEMBL25260469 0.91 BTK (0.48) BTKCRBNCD69CYP3A4CYP2C9
SCHEMBL25260468 0.91 BTK (0.48) BTKCRBNCD69CYP3A4CYP2C9
SCHEMBL29418504 0.91 BTK (0.48) BTKCRBNCD69CYP3A4CYP2C9
SCHEMBL29124717 0.90 BTK (0.44) BTKCRBNKLKB1
SCHEMBL25271307 0.89 BTK (0.48) BTKCRBNKLKB1DGAT2
SCHEMBL25215337 0.89 BTK (0.48) BTKCRBNKLKB1DGAT2

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
Send feedback