SCHEMBL4553608

SCHEMBL4553608

Cc1cncc2cccc(S(=O)(=O)N3CCCN(C(=O)CN)CC3C)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.75
ROCK1 Q13464 12/20 0.75
PRKACA P17612 3/20 0.60
PRKCD Q05655 3/20 0.60
PLK4 O00444 2/20 0.60
MARK3 P27448 2/20 0.60
PRKAA1 Q13131 2/20 0.60
PKN2 Q16513 2/20 0.60
MARK2 Q7KZI7 2/20 0.60
AURKB Q96GD4 2/20 0.60
PRKD2 Q9BZL6 2/20 0.60
PRKD3 O94806 2/20 0.60
PRKCZ Q05513 2/20 0.60
PRKACG P22612 2/20 0.60
PRKACB P22694 2/20 0.60
AURKA O14965 1/20 0.60
DCLK1 O15075 1/20 0.60
PDPK1 O15530 1/20 0.60
MAP4K4 O95819 1/20 0.60
CHEK2 O96017 1/20 0.60

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
SCHEMBL30168969 1.00 ROCK2 (0.75) ROCK2ROCK1PRKACAPRKCDPLK4
SCHEMBL678400 1.00 ROCK2 (0.75) ROCK2ROCK1PRKACAPRKCDPLK4
Hydrochloric Acid SCHEMBL1811642 0.99 ROCK2 (0.74) ROCK2ROCK1PRKACAPRKCDPLK4
Hydrochloric Acid SCHEMBL1811640 0.99 ROCK2 (0.74) ROCK2ROCK1PRKACAPRKCDPLK4
SCHEMBL13951383 0.91 ROCK2 (0.62) ROCK2ROCK1PRKACAPRKCDPLK4
SCHEMBL13606963 0.91 ROCK2 (0.62) ROCK2ROCK1PRKACAPRKCDPLK4
SCHEMBL13606925 0.91 ROCK2 (0.67) ROCK2ROCK1PRKACAPRKCDPLK4
Hydrochloric Acid SCHEMBL4897166 0.90 ROCK2 (0.66) ROCK2ROCK1PRKACAPRKCDPLK4
Hydrochloric Acid SCHEMBL4897175 0.90 ROCK2 (0.66) ROCK2ROCK1PRKACAPRKCDPLK4
SCHEMBL13606964 0.89 ROCK2 (0.60) ROCK2ROCK1PRKACAPRKCDPLK4

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-2494035-B1 PLURIPOTENT STEM CELLS JANSSEN BIOTECH INC (US) 2018-02-28 EP claimed
EP-2076288-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITOR AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER AND INCREASING NEUROGENESIS Braincells, Inc. (US) 2009-07-08 EP disclosed
EP-2066355-A2 COMBINATION COMPRISING A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGENT AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER, INCREASING NEURODIFFERENTIATION AND INCREASING NEUROGENESIS Braincells, Inc. (US) 2009-06-10 EP disclosed
WO-2008039863-A2 COMPOSITION COMPRISING A MELANOCORTIN RECEPTOR (MCR) MODULATING AGENT ALONE OR IN COMBINATION WITH A SECOND NEUROGENIC AGENT FOR TREATING NERVOUS SYSTEM DISORDERS BRAINCELLS, INC. (US) 2008-04-03 WO disclosed
WO-2008036678-A2 COMBINATION COMPRISING A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGENT AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER, INCREASING NEURODIFFERENTIATION AND INCREASING NEUROGENESIS BRAINCELLS, INC. (US) 2008-03-27 WO disclosed
WO-2008036846-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITOR AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER AND INCREASING NEUROGENESIS BRAINCELLS, INC. (US) 2008-03-27 WO disclosed