SCHEMBL22685237

SCHEMBL22685237

CC(F)(F)c1ncc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
WDR91 A4D1P6 3/20 0.40
MAP4K4 O95819 4/20 0.39
PTGER4 P35408 1/20 0.39
PTGDR Q13258 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AKT1 P31749 1/20 0.38
IDO1 P14902 1/20 0.38
CXCR3 P49682 2/20 0.36
PDE2A O00408 3/20 0.36
HSD11B1 P28845 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL22686788 0.84 HDAC3 (0.46) BTKWDR91MAP4K4HDAC3HDAC1
SCHEMBL22686789 0.83 WDR91 (0.43) BTKWDR91MAP4K4HDAC3HDAC1
SCHEMBL22685171 0.80 WDR91 (0.43) WDR91PTGER4PTGDRHDAC3HDAC1
SCHEMBL22686791 0.79 WDR91 (0.44) BTKWDR91MAP4K4HDAC3HDAC1
SCHEMBL22685324 0.78 WDR91 (0.40) WDR91PTGER4PTGDRHDAC3HDAC1
SCHEMBL22685198 0.77 WDR91 (0.53) WDR91MAP4K4HDAC3HDAC1HDAC2
SCHEMBL22685173 0.77 IDO1 (0.42) WDR91MAP4K4PTGER4PTGDRIDO1
SCHEMBL22685236 0.77 HDAC3 (0.46) BTKMAP4K4HDAC3HDAC1HDAC2
SCHEMBL22686783 0.77 WDR91 (0.42) BTKWDR91MAP4K4HDAC3HDAC1
SCHEMBL22685238 0.75 HDAC3 (0.47) BTKWDR91HDAC3HDAC1HDAC2

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