SCHEMBL3713952

SCHEMBL3713952

CN(C)CCCOc1[c]ccc(-c2cn[nH]c2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.51
ROCK1 Q13464 4/20 0.36
FLT3 P36888 2/20 0.36
PHKG1 Q16816 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
AKT1 P31749 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 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
SCHEMBL3805901 0.94 ROCK2 (0.58) ROCK2ROCK1AKT1
SCHEMBL3803880 0.82 ROCK2 (0.39) ROCK2ROCK1AKT1PIM1PIM3
SCHEMBL3810004 0.81 GSK3B (0.38) ROCK2ROCK1AKT1PIM1PIM3
SCHEMBL3717171 0.78 ROCK2 (0.41) ROCK2ROCK1PIM1PIM3
SCHEMBL3809961 0.78 CDC7 (0.35) ROCK2CLK4HRH3PIM1
SCHEMBL3808241 0.76 AKT2 (0.43) ROCK2ROCK1FLT3AKT1PIM1
SCHEMBL3719906 0.74 ROCK2 (0.45) ROCK2ROCK1AKT1PIM1PIM3
SCHEMBL3813838 0.73 SLC2A1 (0.43) ROCK2ROCK1
SCHEMBL3723622 0.73 ROCK2 (0.42) ROCK2ROCK1CLK4HRH3PIM1
SCHEMBL3805844 0.72 KDR (0.48) ROCK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed