SCHEMBL2396679

SCHEMBL2396679

O[C@H]1CC[C@H](Nc2cccc(Nc3nc4ccc(-c5ccccc5)cc4s3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.57
AURKB Q96GD4 12/20 0.53
LCK P06239 11/20 0.53
EGFR P00533 1/20 0.51
INSR P06213 1/20 0.51
SRC P12931 1/20 0.51
TEC P42680 1/20 0.51
TXK P42681 1/20 0.51
BMX P51813 1/20 0.51
BTK Q06187 1/20 0.51
LRRK2 Q5S007 1/20 0.51
CAMKK2 Q96RR4 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
ABL1 P00519 2/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL2396683 1.00 ITK (0.57) ITKAURKBLCKEGFRINSR
Trifluoroacetic Acid SCHEMBL2396596 0.93 ITK (0.53) ITKAURKBLCKEGFRINSR
SCHEMBL2370095 0.92 ITK (0.51) ITKAURKBLCKEGFRINSR
SCHEMBL2370102 0.92 ITK (0.51) ITKAURKBLCKEGFRINSR
SCHEMBL2369722 0.89 PIK3CA (0.52) ITKAURKBLCKEGFRINSR
SCHEMBL2369714 0.89 PIK3CA (0.52) ITKAURKBLCKEGFRINSR
SCHEMBL2370620 0.88 ITK (0.54) ITKAURKBLCKEGFRINSR
SCHEMBL2370626 0.88 ITK (0.54) ITKAURKBLCKEGFRINSR
SCHEMBL2370604 0.87 ITK (0.49) ITKAURKBLCKEGFRINSR
SCHEMBL2396032 0.87 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