SCHEMBL22664697

SCHEMBL22664697

CC(C)(C)OC(=O)NCc1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.51
▸ GSK3B P49841 10/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ KDR P35968 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ AAK1 Q2M2I8 1/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GSK3A P49840 1/20 0.43

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
SCHEMBL29532964 1.00 EPHX2 (0.51) EPHX2GSK3BMAPK14KDRCYP3A4
SCHEMBL29533531 0.87 GSK3B (0.48) GSK3BMAPK14ABL1PIK3C3MAPK8
SCHEMBL22660077 0.87 GSK3B (0.48) GSK3BMAPK14ABL1PIK3C3MAPK8
SCHEMBL22664601 0.87 GSK3B (0.47) GSK3BKDRCYP3A4AAK1PIK3C3
SCHEMBL29533456 0.87 GSK3B (0.47) GSK3BKDRCYP3A4AAK1PIK3C3
SCHEMBL22659485 0.86 GSK3B (0.51) GSK3BMAPK14ABL1PIK3C3MAPT
SCHEMBL22664898 0.85 GSK3B (0.54) GSK3BMAPK14ABL1PIK3C3MAPT
SCHEMBL29533370 0.83 GSK3B (0.45) GSK3BMAPK14PIK3C3MAPK8MAPK10
SCHEMBL22664857 0.83 GSK3B (0.45) GSK3BMAPK14PIK3C3MAPK8MAPK10
SCHEMBL22664629 0.82 PIK3C3 (0.45) GSK3BMAPK14PIK3C3MAPK8MAPK10

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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