SCHEMBL23336485

SCHEMBL23336485

Cc1cc(-c2ncnn3cc(N4CCNCC4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.42
▸ LCK P06239 1/20 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
SCHEMBL23304031 0.92 BTK (0.43) BTKLCK
SCHEMBL23303757 0.92 BTK (0.44) BTKLCK
SCHEMBL23303684 0.89 BTK (0.40) BTKLCK
SCHEMBL23303764 0.88 BTK (0.41) BTKLCK
SCHEMBL23304108 0.88 BTK (0.41) BTKLCK
SCHEMBL23303697 0.88 BTK (0.41) BTKLCK
SCHEMBL23304084 0.87 BTK (0.40) BTKLCK
SCHEMBL23336744 0.87 BTK (0.48) BTKLCK
SCHEMBL29976934 0.87 BTK (0.48) BTKLCK
SCHEMBL23304215 0.87 BTK (0.39) BTKLCK

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-2021087112-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2021-05-06 — — WO disclosed
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