SCHEMBL22685311

SCHEMBL22685311

COc1ncc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)COC3)cc2)c(N)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 11/20 0.55
MAP4K4 O95819 2/20 0.39
ABL1 P00519 1/20 0.38
BDKRB1 P46663 2/20 0.38
HSD11B1 P28845 1/20 0.37
MAPK1 P28482 1/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL22686789 0.92 WDR91 (0.43) WDR91MAP4K4HSD11B1DYRK1ADYRK1B
SCHEMBL22685198 0.86 WDR91 (0.53) WDR91MAP4K4ABL1MAPK1
SCHEMBL22686788 0.78 HDAC3 (0.46) WDR91MAP4K4ABL1
SCHEMBL22685351 0.77 WDR91 (0.54) WDR91MAP4K4
SCHEMBL22685165 0.77 WDR91 (0.42) WDR91ABL1
SCHEMBL22685196 0.76 WDR91 (0.42) WDR91MAP4K4ABL1
SCHEMBL22685078 0.76 WDR91 (0.53) WDR91MAP4K4MAPK1
SCHEMBL22686783 0.76 WDR91 (0.42) WDR91MAP4K4
SCHEMBL22685237 0.75 BTK (0.41) WDR91MAP4K4ABL1HSD11B1
SCHEMBL22685249 0.74 WDR91 (0.41) WDR91MAP4K4

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed