SCHEMBL29110610

SCHEMBL29110610

CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)ccnc1-n1ccc2cc(C3CC3)cc(F)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.42

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
SCHEMBL17781555 0.86 BTK (0.50) BTK
SCHEMBL17937554 0.85 BTK (0.46) BTK
SCHEMBL17958862 0.84 BTK (0.45) BTK
SCHEMBL17831136 0.75 BTK (0.51) BTK
SCHEMBL14914745 0.74 BTK (0.50) BTK
SCHEMBL17937550 0.74 BTK (0.56) BTK
SCHEMBL17971496 0.73 BTK (0.49) BTK
SCHEMBL15586990 0.73 BTK (0.40) BTK
SCHEMBL32667769 0.73 BTK (0.55) BTK
SCHEMBL17923516 0.73 BTK (0.55) 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-116854709-A Reversible inhibitors of Bruton's tyrosine kinase and application thereof 药雅科技(上海)有限公司 2023-10-10 — — CN disclosed
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