SCHEMBL22685264

SCHEMBL22685264

COc1ccc(C(=O)NC2(c3ccc(-c4cnc(OC(F)(F)F)cc4N)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.42
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
ABL1 P00519 2/20 0.38
DEGS1 O15121 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
POLB P06746 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
SCHEMBL22685266 0.90 PDE2A (0.40) PDE2AHDAC6HDAC3HDAC1HDAC2
SCHEMBL22685262 0.89 WDR91 (0.40) PDE2AMAP4K4HDAC6HDAC3HDAC1
SCHEMBL22685247 0.89 ROCK2 (0.41) PDE2AROCK2ROCK1MAP4K4CHEK2
SCHEMBL22685329 0.84 IDO1 (0.43) ROCK2ROCK1MAP4K4HDAC6HDAC3
SCHEMBL22685187 0.83 PDE2A (0.44) PDE2AROCK2ROCK1HDAC6HDAC3
SCHEMBL22685249 0.82 WDR91 (0.41) ROCK2ROCK1MAP4K4HDAC6HDAC3
SCHEMBL22685250 0.82 PTPN1 (0.40) PDE2AROCK2ROCK1HDAC6HDAC3
SCHEMBL22685075 0.81 IDO1 (0.43) PDE2AMAP4K4CHEK2HDAC6HDAC3
SCHEMBL22685322 0.80 ROCK2 (0.38) ROCK2ROCK1MAP4K4ABL1CTSL
SCHEMBL22686806 0.80 PDE2A (0.49) PDE2AROCK2ROCK1HDAC6HDAC3

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