SCHEMBL22685198

SCHEMBL22685198

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 11/20 0.53
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAP4K4 O95819 3/20 0.39
ABL1 P00519 1/20 0.39
F10 P00742 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL22686788 0.92 HDAC3 (0.46) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685165 0.91 WDR91 (0.42) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685197 0.88 WDR91 (0.41) WDR91MAP4K4ABL1KDM4E
SCHEMBL22685311 0.86 WDR91 (0.55) WDR91MAP4K4ABL1MAPK1
SCHEMBL22685236 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6MAP4K4
SCHEMBL22685238 0.81 HDAC3 (0.47) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22686789 0.79 WDR91 (0.43) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685351 0.78 WDR91 (0.54) WDR91MAP4K4KDM4E
SCHEMBL22685237 0.77 BTK (0.41) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22686791 0.75 WDR91 (0.44) 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