SCHEMBL3261807

SCHEMBL3261807

c1cc(-c2ccc3nc(NCc4ccc(CN5CCOCC5)cc4)sc3c2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 13/20 0.65
DYRK1A Q13627 2/20 0.65
ROCK2 O75116 1/20 0.65
MAP4K4 O95819 1/20 0.65
PRKCG P05129 1/20 0.65
LYN P07948 1/20 0.65
PRKACA P17612 1/20 0.65
RPS6KB1 P23443 1/20 0.65
AKT1 P31749 1/20 0.65
FLT3 P36888 1/20 0.65
CSNK1D P48730 1/20 0.65
CLK2 P49760 1/20 0.65
IRAK1 P51617 1/20 0.65
PRKX P51817 1/20 0.65
NEK4 P51957 1/20 0.65
PRKCD Q05655 1/20 0.65
ROCK1 Q13464 1/20 0.65
PKN2 Q16513 1/20 0.65
HIPK4 Q8NE63 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65

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
SCHEMBL4284196 0.91 AURKB (0.64) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL13457460 0.90 AURKB (0.57) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL13457008 0.89 AURKB (0.50) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL13457500 0.87 AURKB (0.61) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL13457416 0.85 USP30 (0.51) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL13457059 0.83 AURKB (0.51) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL13457192 0.83 PIK3CA (0.49) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL4283666 0.80 AURKB (0.63) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL4283665 0.80 MAP4K4 (0.78) AURKBDYRK1AROCK2MAP4K4PRKCG
SCHEMBL4286537 0.79 CLK4 (1.00) AURKBDYRK1AROCK2MAP4K4PRKCG

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