SCHEMBL3808763

SCHEMBL3808763

C[As](CCOc1cc(-c2cn[nH]c2)ccc1C(N)=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.52
ROCK2 O75116 17/20 0.47
ROCK1 Q13464 14/20 0.47
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44

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
SCHEMBL3808767 0.85 ROCK2 (0.58) MELKROCK2ROCK1
SCHEMBL3722812 0.82 MELK (0.55) MELKROCK2ROCK1MKNK1MKNK2
SCHEMBL3714082 0.80 ROCK2 (0.57) MELKROCK2ROCK1MKNK1MKNK2
SCHEMBL3711715 0.80 ROCK2 (0.54) MELKROCK2ROCK1MKNK1MKNK2
SCHEMBL3713988 0.77 ROCK2 (0.69) MELKROCK2ROCK1
SCHEMBL3801724 0.77 HTT (0.54) MELKROCK2ROCK1MKNK1MKNK2
SCHEMBL3716304 0.76 CTNNB1 (0.52) MELKROCK2ROCK1MKNK1MKNK2
SCHEMBL3714539 0.76 MELK (0.56) MELKROCK2ROCK1MKNK1MKNK2
SCHEMBL3656437 0.73 MKNK2 (0.61) MELKROCK2ROCK1MKNK1MKNK2
SCHEMBL3723065 0.73 MKNK1 (0.49) MELKROCK2ROCK1MKNK1MKNK2

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