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Sugi Predict / Compounds / SCHEMBL23816175

SCHEMBL23816175

SCHEMBL23816175

C=C1CCN(c2ccc(N3CCC(CN4CCN(c5ccc(-c6cnc7[nH]nc(-c8ccc(CNC(=O)c9nc(C(C)(C)C)no9)c(C)c8)c7c6)cn5)CC4)CC3)cc2C)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ EZH2 Q15910 1/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ LCK P06239 1/20 0.32

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
SCHEMBL23816328 0.95 BTK (0.38) BTKCRBNEZH2GSK3BLCK
SCHEMBL23816201 0.90 BTK (0.38) BTKCRBNEZH2GSK3BLCK
SCHEMBL26517847 0.88 BTK (0.38) BTKCRBNGSK3BLCK
SCHEMBL23816062 0.88 BTK (0.38) BTKCRBNGSK3BLCK
SCHEMBL23816482 0.86 BTK (0.38) BTKCRBNEZH2LCK
SCHEMBL23816456 0.86 BTK (0.39) BTKCRBNEZH2GSK3BLCK
SCHEMBL26517637 0.85 BTK (0.38) BTKCRBNGSK3BLCK
SCHEMBL23816479 0.83 BTK (0.38) BTKCRBNGSK3BLCK
SCHEMBL26111378 0.83 BTK (0.38) BTKCRBNGSK3BLCK
SCHEMBL23816022 0.82 BTK (0.39) BTKCRBNGSK3BLCK

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
WO-2021180103-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-09-16 — — WO disclosed
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