SCHEMBL3651089

SCHEMBL3651089

O=CNCc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.47
ROCK2 O75116 15/20 0.47
AURKA O14965 1/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MARK3 P27448 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
RPS6KA3 P51812 1/20 0.45
PRKX P51817 1/20 0.45
LIMK1 P53667 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK1G2 P78368 1/20 0.45

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
SCHEMBL353373 0.87 ROCK1 (0.47) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL353214 0.87 ROCK1 (0.48) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL4777145 0.86 SCD (0.51) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL353663 0.86 KMT2A (0.51) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL2067303 0.86 ROCK1 (0.47) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL351643 0.85 ROCK1 (0.49) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL3657740 0.84 ROCK1 (0.45) ROCK1ROCK2
SCHEMBL4781259 0.84 SCD (0.53) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL4726384 0.84 SCD (0.53) ROCK1ROCK2AURKADYRK3PRKD3
SCHEMBL354540 0.84 ROCK1 (0.46) ROCK1ROCK2AURKADYRK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
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-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
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