SCHEMBL23816318

SCHEMBL23816318

Cc1cc(-c2n[nH]c3ncc(-c4ccc(C5(O)CCNCC5)cc4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.39
▸ LCK P06239 1/20 0.39

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
SCHEMBL23816068 0.87 BTK (0.44) BTKLCK
SCHEMBL30151517 0.87 BTK (0.41) BTKLCK
SCHEMBL30063476 0.87 BTK (0.44) BTKLCK
SCHEMBL23816316 0.85 BTK (0.38) BTK
Hydrochloric Acid SCHEMBL30064702 0.85 BTK (0.38) BTK
Hydrochloric Acid SCHEMBL26114064 0.85 BTK (0.38) BTK
Hydrochloric Acid SCHEMBL26114060 0.85 BTK (0.38) BTK
SCHEMBL23816213 0.84 BTK (0.41) BTKLCK
SCHEMBL30063464 0.84 BTK (0.41) BTKLCK
SCHEMBL30063405 0.84 BTK (0.41) 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-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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