SCHEMBL13457481

SCHEMBL13457481

NC(C(=O)Nc1nc2ccc(-c3cn[nH]c3)cc2s1)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.64
OTUD7B Q6GQQ9 1/20 0.53
USP30 Q70CQ3 3/20 0.51
LCK P06239 6/20 0.51
ITK Q08881 6/20 0.51
FFAR2 O15552 1/20 0.48

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
SCHEMBL3265115 0.85 ABL1 (0.55) ROCK2ITKFFAR2
SCHEMBL13457370 0.83 ROCK2 (0.57) ROCK2OTUD7BUSP30LCKITK
SCHEMBL16712958 0.79 ROCK2 (1.00) ROCK2
SCHEMBL4662575 0.77 ROCK2 (0.76) ROCK2
SCHEMBL13457496 0.75 SMN1; SMN2 (0.62) ROCK2OTUD7BUSP30LCKITK
SCHEMBL13457222 0.74 LCK (0.62) USP30LCKITK
SCHEMBL6068368 0.74 ABL1 (0.71) ROCK2LCKITK
SCHEMBL1254574 0.74 ROCK2 (0.68) ROCK2
SCHEMBL8739816 0.73 LCK (0.53) ROCK2OTUD7BUSP30LCKITK
SCHEMBL23221371 0.72 PCSK9 (0.55) ROCK2OTUD7BUSP30LCKITK

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