SCHEMBL3239363

SCHEMBL3239363

O=C(NCc1cccc(Cl)c1)c1nc2ccc(-c3ncnc4[nH]ccc34)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.62
BTK Q06187 3/20 0.51
ROCK2 O75116 3/20 0.49
AKT2 P31751 1/20 0.47
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
MAP3K19 Q56UN5 1/20 0.46
RPS6KB1 P23443 1/20 0.45
JAK3 P52333 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13457054 0.87 ROCK2 (0.64) MAOBBTKROCK2PDGFRBKIT
SCHEMBL3268110 0.77 ROCK2 (0.66) MAOBROCK2RPS6KB1
SCHEMBL15662764 0.77 BTK (0.77) BTKROCK2AKT2PDGFRBKIT
SCHEMBL3264656 0.75 ROCK2 (0.68) MAOBROCK2RPS6KB1
SCHEMBL13457308 0.72 ROCK2 (0.69) ROCK2JAK3
SCHEMBL16793763 0.71 BTK (0.67) BTKPDGFRBKITFLT3MAP3K19
SCHEMBL15661937 0.71 JAK2 (0.67) BTKFLT3RPS6KB1JAK3
SCHEMBL13362826 0.71 MMP13 (0.51) MAOBBTKROCK2PDGFRBKIT
SCHEMBL15660156 0.70 BTK (0.57) BTKROCK2AKT2PDGFRBKIT
SCHEMBL1230560 0.70 TTBK1 (0.49) BTKAKT2

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