SCHEMBL2398437

SCHEMBL2398437

CNCc1cncc(-c2ccc3nc(Nc4cccc(NC5CCC(O)CC5)n4)sc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.48
AURKB Q96GD4 12/20 0.48
LCK P06239 11/20 0.48
EGFR P00533 1/20 0.47
INSR P06213 1/20 0.47
SRC P12931 1/20 0.47
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
BMX P51813 1/20 0.47
BTK Q06187 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CG P48736 3/20 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
SCHEMBL2398427 1.00 ITK (0.48) ITKAURKBLCKEGFRINSR
SCHEMBL2394278 0.92 ITK (0.46) ITKAURKBLCKEGFRINSR
SCHEMBL2394293 0.92 ITK (0.46) ITKAURKBLCKEGFRINSR
SCHEMBL2400258 0.91 ITK (0.47) ITKAURKBLCKEGFRINSR
SCHEMBL2400272 0.91 ITK (0.47) ITKAURKBLCKEGFRINSR
SCHEMBL2397592 0.89 PIK3CD (0.46) ITKAURKBLCKEGFRINSR
SCHEMBL2397584 0.89 PIK3CD (0.46) ITKAURKBLCKEGFRINSR
SCHEMBL2397514 0.88 PIK3CD (0.45) ITKAURKBLCKEGFRINSR
SCHEMBL2397504 0.88 PIK3CD (0.45) ITKAURKBLCKEGFRINSR
SCHEMBL2399394 0.87 PIK3CG (0.52) 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