SCHEMBL22664894

SCHEMBL22664894

CC(C)(C)OC(=O)NC1CCCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.50
▸ BTK Q06187 2/20 0.48
▸ PIK3C3 Q8NEB9 2/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL29533042 1.00 GSK3B (0.50) GSK3BBTKPIK3C3MAPK8MAPK10
SCHEMBL22664892 1.00 GSK3B (0.50) GSK3BBTKPIK3C3MAPK8MAPK10
SCHEMBL29766552 0.87 BTK (0.45) BTK
SCHEMBL20683040 0.87 BTK (0.45) BTK
SCHEMBL26073278 0.86 BTK (0.43) GSK3BBTK
SCHEMBL22659435 0.85 GSK3B (0.56) GSK3BBTKPIK3C3
SCHEMBL22659437 0.85 GSK3B (0.56) GSK3BBTKPIK3C3
SCHEMBL29766356 0.83 BTK (0.69) BTK
SCHEMBL20683053 0.83 BTK (0.69) BTK
SCHEMBL16814090 0.80 BTK (0.49) BTK

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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