SCHEMBL19085996

SCHEMBL19085996

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cccc(OC)c3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.53
ROCK1 Q13464 13/20 0.44
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41

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
SCHEMBL19085995 0.91 METTL3 (0.41) ROCK2ROCK1PRMT5WDR77MAPT
SCHEMBL19085984 0.91 ROCK2 (0.42) ROCK2ROCK1PRMT5WDR77AURKA
SCHEMBL19085994 0.91 ROCK2 (0.41) ROCK2ROCK1PRMT5WDR77MAPK1
SCHEMBL19085976 0.89 DDR2 (0.46) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19086234 0.89 EPHX2 (0.43) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19086041 0.88 ROCK2 (0.40) ROCK2ROCK1PRMT5WDR77MAPT
SCHEMBL19085991 0.88 MAOB (0.42) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19086985 0.88 PRMT5 (0.41) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19086044 0.87 PRMT5 (0.40) ROCK2PRMT5WDR77CSNK1D
SCHEMBL19086349 0.87 MAOB (0.40) ROCK2ROCK1PRMT5WDR77NAMPT

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-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed