SCHEMBL29533875

SCHEMBL29533875

CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C(C)(C)C)no1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.50
▸ LCK P06239 1/20 0.45
▸ GSK3B P49841 9/20 0.45
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ MAPK14 Q16539 2/20 0.41

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
SCHEMBL22660085 1.00 BTK (0.50) BTKLCKGSK3BPIK3C3MAPK14
SCHEMBL22659422 0.94 BTK (0.55) BTKLCKGSK3BMAPK14
SCHEMBL29533386 0.94 BTK (0.55) BTKLCKGSK3BMAPK14
SCHEMBL22659668 0.91 BTK (0.50) BTKLCKGSK3BPIK3C3MAPK14
SCHEMBL29533262 0.91 BTK (0.50) BTKLCKGSK3BPIK3C3MAPK14
SCHEMBL22664661 0.91 BTK (0.54) BTKLCKGSK3BMAPK14
SCHEMBL22659699 0.91 BTK (0.54) BTKLCKGSK3BPIK3C3
SCHEMBL29532904 0.91 BTK (0.54) BTKLCKGSK3BPIK3C3
Hydrochloric Acid SCHEMBL22659335 0.91 BTK (0.53) BTKLCKGSK3BMAPK14
Hydrochloric Acid SCHEMBL29533253 0.91 BTK (0.53) BTKLCKGSK3BMAPK14

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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