SCHEMBL22685249

SCHEMBL22685249

COc1cc(N)c(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 3/20 0.41
MAP4K4 O95819 3/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKT1 P31749 2/20 0.39
F10 P00742 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
CXCR3 P49682 2/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL22685329 0.90 IDO1 (0.43) MAP4K4ROCK2ROCK1HDAC3HDAC1
SCHEMBL22685322 0.88 ROCK2 (0.38) MAP4K4ROCK2ROCK1OPRD1KCNH2
SCHEMBL22685262 0.88 WDR91 (0.40) WDR91MAP4K4HDAC3HDAC1HDAC2
SCHEMBL22686789 0.82 WDR91 (0.43) WDR91MAP4K4ROCK2ROCK1HDAC3
SCHEMBL22685264 0.82 PDE2A (0.42) MAP4K4ROCK2ROCK1HDAC3HDAC1
SCHEMBL22686783 0.82 WDR91 (0.42) WDR91MAP4K4ROCK2ROCK1HDAC3
SCHEMBL22685250 0.82 PTPN1 (0.40) ROCK2ROCK1HDAC3HDAC1HDAC2
SCHEMBL22685183 0.80 MALT1 (0.44) WDR91ROCK2ROCK1HDAC3HDAC1
SCHEMBL22685247 0.80 ROCK2 (0.41) MAP4K4ROCK2ROCK1HDAC3HDAC1
SCHEMBL22685246 0.77 WDR91 (0.45) WDR91MAP4K4HDAC3HDAC1HDAC2

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