SCHEMBL22664846

SCHEMBL22664846

Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.51
▸ LCK P06239 1/20 0.45
▸ GSK3B P49841 9/20 0.45
▸ MAPK14 Q16539 3/20 0.43
▸ ABL1 P00519 1/20 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
Hydrochloric Acid SCHEMBL29533241 0.99 BTK (0.51) BTKLCKGSK3BMAPK14ABL1
Hydrochloric Acid SCHEMBL22659441 0.99 BTK (0.51) BTKLCKGSK3BMAPK14ABL1
SCHEMBL22659931 0.92 BTK (0.46) BTKLCKGSK3BMAPK14
SCHEMBL29533570 0.92 BTK (0.46) BTKLCKGSK3BMAPK14
SCHEMBL22659580 0.91 BTK (0.51) BTKLCKGSK3B
SCHEMBL29532906 0.91 BTK (0.51) BTKLCKGSK3B
SCHEMBL29532936 0.89 BTK (0.55) BTKLCKGSK3BMAPK14ABL1
SCHEMBL22659505 0.89 BTK (0.55) BTKLCKGSK3BMAPK14ABL1
SCHEMBL22659808 0.89 BTK (0.53) BTKLCKGSK3BMAPK14ABL1
SCHEMBL29533525 0.89 BTK (0.53) BTKLCKGSK3BMAPK14ABL1

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-2020232330-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2020-11-19 — — WO disclosed
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