SCHEMBL13457652

SCHEMBL13457652

O=C(NCc1ccccc1)c1nc2ccc(-c3cn[nH]c3)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 1.00
MAOB P27338 9/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ROCK1 Q13464 3/20 0.58
CDC42BPA Q5VT25 2/20 0.54
MAPK10 P53779 1/20 0.52
MAPT P10636 1/20 0.52
SNCA P37840 1/20 0.52

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
SCHEMBL13457653 0.89 ROCK2 (1.00) ROCK2MAOBL3MBTL1ROCK1CDC42BPA
SCHEMBL13457535 0.87 ROCK2 (1.00) ROCK2MAOBROCK1CDC42BPAMAPK10
SCHEMBL13457105 0.81 ROCK2 (0.80) ROCK2ROCK1CDC42BPAMAPK10
SCHEMBL5330099 0.80 L3MBTL1 (1.00) ROCK2MAOBL3MBTL1MAPTSNCA
SCHEMBL13457096 0.79 ROCK2 (0.80) ROCK2ROCK1CDC42BPAMAPK10
SCHEMBL3265554 0.79 ROCK2 (0.65) ROCK2ROCK1CDC42BPAMAPK10MAPT
SCHEMBL13457365 0.78 ROCK2 (0.64) ROCK2MAOBL3MBTL1ROCK1
SCHEMBL13457565 0.77 MAOB (0.63) ROCK2MAOBL3MBTL1MAPTSNCA
SCHEMBL13457083 0.77 ROCK2 (0.81) ROCK2ROCK1CDC42BPAMAPK10
SCHEMBL13457496 0.76 SMN1; SMN2 (0.62) ROCK2MAPT

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 1 patent. 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