SCHEMBL22685165

SCHEMBL22685165

CNc1ncc(-c2ccc(C3(NC(=O)c4ccc(Br)cc4)COC3)cc2)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 8/20 0.42
ABL1 P00519 2/20 0.39
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
BACE1 P56817 1/20 0.34
BTK Q06187 1/20 0.34
PDE2A O00408 3/20 0.34
PDE10A Q9Y233 1/20 0.34
USP7 Q93009 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL22685198 0.91 WDR91 (0.53) WDR91ABL1HDAC3HDAC1HDAC2
SCHEMBL22685197 0.88 WDR91 (0.41) WDR91ABL1BTKPDE2AUSP7
SCHEMBL22685236 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6BTK
SCHEMBL22686788 0.82 HDAC3 (0.46) WDR91ABL1HDAC3HDAC1HDAC2
SCHEMBL22685072 0.77 IDO1 (0.43) WDR91ABL1HDAC3HDAC1HDAC2
SCHEMBL22685196 0.77 WDR91 (0.42) WDR91ABL1BTKPDE2A
SCHEMBL22685311 0.77 WDR91 (0.55) WDR91ABL1
SCHEMBL22684758 0.74 WDR91 (0.43) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685238 0.71 HDAC3 (0.47) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL23908270 0.71 WDR91 (0.56) WDR91HDAC3HDAC1HDAC2HDAC6

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