SCHEMBL3723065

SCHEMBL3723065

CN(C)C(=O)COc1cc(-c2cn[nH]c2)ccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
ROCK2 O75116 14/20 0.47
MELK Q14680 1/20 0.47
ROCK1 Q13464 11/20 0.44
POLB P06746 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
SCHEMBL3723069 0.86 ROCK2 (0.65) ROCK2MELKROCK1POLB
SCHEMBL3713988 0.84 ROCK2 (0.69) ROCK2MELKROCK1
SCHEMBL3656437 0.80 MKNK2 (0.61) MKNK1MKNK2ROCK2MELKROCK1
SCHEMBL3801724 0.79 HTT (0.54) MKNK1MKNK2ROCK2MELKROCK1
SCHEMBL3723996 0.78 ROCK2 (0.45) ROCK2MELKROCK1
SCHEMBL3722812 0.78 MELK (0.55) MKNK1MKNK2ROCK2MELKROCK1
SCHEMBL3661410 0.77 CDC7 (0.50) MKNK1MKNK2ROCK2POLB
SCHEMBL3714082 0.77 ROCK2 (0.57) MKNK1MKNK2ROCK2MELKROCK1
SCHEMBL14303253 0.75 POLB (0.48) POLB
SCHEMBL3718197 0.74 ROCK2 (0.57) MKNK1MKNK2ROCK2MELKROCK1

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