SCHEMBL3264656

SCHEMBL3264656

COc1cccc(CNC(=O)c2nc3ccc(-c4ncnc5[nH]ncc45)cc3s2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.68
MAOB P27338 3/20 0.63
RPS6KB1 P23443 4/20 0.62
ROCK1 Q13464 3/20 0.58
CDC42BPA Q5VT25 2/20 0.48
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
MAPK10 P53779 1/20 0.46

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
SCHEMBL13457054 0.88 ROCK2 (0.64) ROCK2MAOBRPS6KB1ROCK1
SCHEMBL3268110 0.88 ROCK2 (0.66) ROCK2MAOBRPS6KB1
SCHEMBL13457535 0.81 ROCK2 (1.00) ROCK2MAOBROCK1CDC42BPAPRKACA
SCHEMBL20445828 0.77 RPS6KB1 (1.00) RPS6KB1
SCHEMBL3253956 0.77 RPS6KB1 (0.57) ROCK2RPS6KB1ROCK1
SCHEMBL3261601 0.77 MAOB (0.78) ROCK2MAOBROCK1
SCHEMBL3264837 0.76 ROCK2 (0.56) ROCK2RPS6KB1ROCK1CDC42BPAMAPK10
SCHEMBL3239363 0.75 MAOB (0.62) ROCK2MAOBRPS6KB1
SCHEMBL18176583 0.72 RPS6KB1 (0.61) ROCK2RPS6KB1ROCK1CDC42BPA
SCHEMBL13362826 0.71 MMP13 (0.51) ROCK2MAOBRPS6KB1ROCK1

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
WO-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 WO disclosed
WO-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 WO disclosed