SCHEMBL22685202

SCHEMBL22685202

Cc1cc(C#N)ncc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WDR91 A4D1P6 4/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ AKT1 P31749 2/20 0.39
▸ EGLN1 Q9GZT9 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CXCR3 P49682 2/20 0.38
▸ MAP4K1 Q92918 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ S1PR3 Q99500 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
SCHEMBL22438850 0.87 EGLN1 (0.44) EGLN1CXCR3MAP4K4
SCHEMBL22685060 0.83 WDR91 (0.45) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685238 0.77 HDAC3 (0.47) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22438857 0.76 EGLN1 (0.45) EGLN1MAP4K4
SCHEMBL23908259 0.75 IDO1 (0.45) EGLN1MAP4K4
SCHEMBL22438744 0.75 IDO1 (0.45) EGLN1MAP4K4
SCHEMBL22685249 0.74 WDR91 (0.41) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22686788 0.74 HDAC3 (0.46) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22684820 0.73 DEGS1 (0.45) HDAC3HDAC1HDAC2HDAC6EGLN1
SCHEMBL22685209 0.72 EGLN2 (0.41) MAP4K1MAP4K4

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
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