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Sugi Predict / Compounds / SCHEMBL30352433

SCHEMBL30352433

SCHEMBL30352433

CC(C)(C)N(Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O.CC(C)(C)OC(=O)NCc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ AAK1 Q2M2I8 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ RPS6KA1 Q15418 1/20 0.31
▸ GLS O94925 1/20 0.30
▸ KDM4A O75164 1/20 0.30

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
SCHEMBL25574986 0.89 PRMT5 (0.46) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL22664611 0.81 PRMT5 (0.45) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL17664633 0.81 PRMT5 (0.45) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL23336679 0.80 PRMT5 (0.44) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL29840292 0.80 PRMT5 (0.44) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL27167880 0.78 ROCK1 (0.31) —
SCHEMBL25241808 0.76 ROCK1 (0.37) —
SCHEMBL3490524 0.76 PRMT5 (0.57) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL31706658 0.75 PRMT5 (0.43) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL21455530 0.75 PRMT5 (0.45) PRMT5WDR77AAK1BACE1BACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4429770-A1 BTK INHIBITORS Biogen MA Inc. (US) 2024-09-18 — — EP disclosed
WO-2023086521-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2023-05-19 — — WO disclosed
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