SCHEMBL26742314

SCHEMBL26742314

CC(C)n1cc(Br)cc(Nc2ccc(N3CCN(C4COC4)C[C@@H]3C)cn2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.49

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
SCHEMBL14914054 0.89 BTK (0.55) BTK
SCHEMBL14916195 0.89 BTK (0.55) BTK
SCHEMBL29741838 0.89 BTK (0.55) BTK
SCHEMBL31158074 0.89 BTK (0.55) BTK
SCHEMBL14913070 0.89 BTK (0.55) BTK
SCHEMBL29741839 0.89 BTK (0.55) BTK
SCHEMBL24375294 0.87 BTK (0.55) BTK
SCHEMBL24375285 0.86 BTK (0.47) BTK
SCHEMBL24374916 0.83 BTK (0.55) BTK
SCHEMBL20281235 0.82 BTK (0.62) BTK

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-115715291-A Bruton's tyrosine kinase inhibitor and preparation method thereof 上海华汇拓医药科技有限公司 2023-02-24 — — CN disclosed
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