SCHEMBL2370102

SCHEMBL2370102

OC1CCC(Nc2cccc(Nc3nc4ccc(-c5ccncc5)cc4s3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.51
AURKB Q96GD4 11/20 0.47
LCK P06239 8/20 0.47
MAP4K4 O95819 2/20 0.46
PRKCG P05129 2/20 0.46
PRKACA P17612 2/20 0.46
RPS6KB1 P23443 2/20 0.46
AKT1 P31749 2/20 0.46
CSNK1D P48730 2/20 0.46
CLK2 P49760 2/20 0.46
IRAK1 P51617 2/20 0.46
PRKX P51817 2/20 0.46
NEK4 P51957 2/20 0.46
PRKCD Q05655 2/20 0.46
ROCK1 Q13464 2/20 0.46
DYRK1A Q13627 2/20 0.46
PKN2 Q16513 2/20 0.46
HIPK4 Q8NE63 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46

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
SCHEMBL2370095 1.00 ITK (0.51) ITKAURKBLCKMAP4K4PRKCG
SCHEMBL2396683 0.92 ITK (0.57) ITKAURKBLCKEGFRINSR
SCHEMBL2396679 0.92 ITK (0.57) ITKAURKBLCKEGFRINSR
SCHEMBL2369722 0.89 PIK3CA (0.52) ITKAURKBLCKEGFRINSR
SCHEMBL2369714 0.89 PIK3CA (0.52) ITKAURKBLCKEGFRINSR
SCHEMBL2370620 0.86 ITK (0.54) ITKAURKBLCKEGFRINSR
SCHEMBL2370626 0.86 ITK (0.54) ITKAURKBLCKEGFRINSR
SCHEMBL2399394 0.86 PIK3CG (0.52) ITKAURKBLCKCLK2DYRK1A
SCHEMBL2399382 0.86 PIK3CG (0.52) ITKAURKBLCKCLK2DYRK1A
SCHEMBL2396030 0.85 ITK (0.49) ITKAURKBLCKEGFRINSR

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-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed