SCHEMBL883883

SCHEMBL883883

COC(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)CN(C)C(=O)c1c(C)n[nH]c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.45
ROCK2 O75116 11/20 0.45
MAPK1 P28482 4/20 0.39
ATG4B Q9Y4P1 1/20 0.36
SGK1 O00141 1/20 0.36
AKT1 P31749 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
TNK2 Q07912 1/20 0.36
DMPK Q09013 1/20 0.36
MYLK Q15746 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL883894 0.93 ROCK1 (0.44) ROCK1ROCK2MAPK1ATG4BSGK1
SCHEMBL883924 0.92 ROCK1 (0.43) ROCK1ROCK2MAPK1ATG4BSGK1
SCHEMBL883939 0.91 ROCK2 (0.49) ROCK1ROCK2MAPK1ATG4BSGK1
SCHEMBL352836 0.87 ROCK2 (0.51) ROCK1ROCK2MAPK1ATG4BSGK1
SCHEMBL353270 0.78 ROCK2 (0.45) ROCK1ROCK2MAPK1ATG4BEPHX2
SCHEMBL354050 0.76 ROCK1 (0.54) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353419 0.76 ROCK2 (0.49) ROCK1ROCK2MAPK1ATG4BSGK1
SCHEMBL351562 0.76 ROCK1 (0.55) ROCK1ROCK2MAPK1ATG4BSGK1
SCHEMBL351601 0.75 ROCK2 (0.53) ROCK1ROCK2MAPK1ATG4BSGK1
SCHEMBL353010 0.75 ROCK2 (0.53) ROCK1ROCK2MAPK1ATG4BSGK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed