SCHEMBL29533277

SCHEMBL29533277

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.52
▸ LCK P06239 1/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ GSK3B P49841 3/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK3 Q00526 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ MAPK14 Q16539 2/20 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
SCHEMBL22660078 1.00 BTK (0.52) BTKLCKPIK3C3GSK3BCDK1
SCHEMBL29533826 0.92 BTK (0.53) BTKLCKGSK3BCDK1CDK2
SCHEMBL22659710 0.92 BTK (0.53) BTKLCKGSK3BCDK1CDK2
SCHEMBL22659773 0.90 BTK (0.55) BTKLCKGSK3BCDK1CDK2
SCHEMBL29533542 0.90 BTK (0.52) BTKLCKGSK3BCDK1CDK2
SCHEMBL22659653 0.90 BTK (0.52) BTKLCKGSK3BCDK1CDK2
SCHEMBL29533566 0.90 BTK (0.55) BTKLCKGSK3BCDK1CDK2
SCHEMBL22659452 0.90 BTK (0.53) BTKLCKGSK3BCDK1CDK2
SCHEMBL29533081 0.90 BTK (0.53) BTKLCKGSK3BCDK1CDK2
SCHEMBL22659928 0.89 BTK (0.54) BTKLCKGSK3BCDK1CDK2

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
EP-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP disclosed
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