SCHEMBL13846355

SCHEMBL13846355

Bc1cc(C#N)cc2sc(NC(=O)OC(C)(C)C)nc12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.49
DYRK1A Q13627 1/20 0.43
DUSP3 P51452 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL2920743 0.86 LCK (0.49) LCKDYRK1ADUSP3GSK3B
SCHEMBL13846349 0.82 LCK (0.42) LCKDYRK1ADUSP3
SCHEMBL13847104 0.81 LCK (0.50) LCK
SCHEMBL2920867 0.78 LCK (0.43) LCKDYRK1ADUSP3
SCHEMBL2920980 0.75 MAPT (0.40) LCKDYRK1ADUSP3
SCHEMBL13846345 0.74 LCK (0.44) LCK
SCHEMBL13846520 0.74 LCK (0.58) LCK
SCHEMBL13846353 0.73 LCK (0.48) LCK
SCHEMBL19630817 0.72 LCK (0.54) LCKDYRK1A
SCHEMBL2274858 0.71 LCK (0.61) LCK

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-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed