SCHEMBL23816160

SCHEMBL23816160

Cc1cc(-c2n[nH]c3ncc(-c4ccc(N5CCN(CCc6ccc(N7CC(=O)NC7=O)cc6)CC5)cc4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.38
▸ LCK P06239 1/20 0.36
▸ GSK3B P49841 5/20 0.35
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 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
SCHEMBL23803767 0.89 BTK (0.34) BTKGSK3BDRD2DRD3
SCHEMBL23816438 0.89 BTK (0.44) BTKLCKGSK3BDRD2DRD3
SCHEMBL26115667 0.89 BTK (0.34) BTKGSK3BDRD2DRD3
SCHEMBL23816456 0.85 BTK (0.39) BTKLCKGSK3B
SCHEMBL30151517 0.84 BTK (0.41) BTKLCKGSK3B
SCHEMBL26112365 0.83 BTK (0.36) BTKLCKGSK3B
SCHEMBL23816201 0.82 BTK (0.38) BTKLCKGSK3B
SCHEMBL23816557 0.82 BTK (0.43) BTKLCKGSK3B
SCHEMBL30063405 0.82 BTK (0.41) BTKLCK
SCHEMBL26114267 0.82 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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