SCHEMBL3723069

SCHEMBL3723069

CN(C)C(=O)COc1cc(-c2cn[nH]c2)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.65
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHEK1 O14757 3/20 0.41
MELK Q14680 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ROCK1 Q13464 6/20 0.40

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
SCHEMBL3723065 0.86 MKNK1 (0.49) ROCK2POLBMELKROCK1
SCHEMBL3713992 0.79 ROCK2 (1.00) ROCK2KDM4EMEN1ALDH1A1POLB
SCHEMBL3661420 0.77 CDK2 (0.44) ROCK2KDM4EMEN1ALDH1A1POLB
SCHEMBL3717171 0.76 ROCK2 (0.41) ROCK2GSK3BDYRK1AROCK1
SCHEMBL3723999 0.76 MAP4K1 (0.56) ROCK2KDM4EKMT2AROCK1
SCHEMBL2368605 0.74 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL3656438 0.74 ALDH1A1 (0.67) ROCK2KDM4EMEN1ALDH1A1POLB
SCHEMBL3801726 0.73 ROCK2 (0.69) ROCK2KDM4EMEN1ALDH1A1POLB
SCHEMBL1987965 0.73 MEN1 (0.48) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL3252024 0.72 ROCK2 (0.50) ROCK2ROCK1

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