SCHEMBL2397584

SCHEMBL2397584

CN(C)Cc1cncc(-c2ccc3nc(Nc4cccc(N[C@H]5CC[C@H](O)CC5)n4)sc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
ITK Q08881 15/20 0.46
LCK P06239 14/20 0.46
AURKB Q96GD4 10/20 0.46
EGFR P00533 1/20 0.45
INSR P06213 1/20 0.45
SRC P12931 1/20 0.45
TEC P42680 1/20 0.45
TXK P42681 1/20 0.45
BMX P51813 1/20 0.45
BTK Q06187 1/20 0.45
LRRK2 Q5S007 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
CSF1R P07333 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL2397592 1.00 PIK3CD (0.46) PIK3CDITKLCKAURKBEGFR
SCHEMBL2400272 0.90 ITK (0.47) PIK3CDITKLCKAURKBEGFR
SCHEMBL2400258 0.90 ITK (0.47) PIK3CDITKLCKAURKBEGFR
SCHEMBL2398427 0.89 ITK (0.48) PIK3CDITKLCKAURKBEGFR
SCHEMBL2398437 0.89 ITK (0.48) PIK3CDITKLCKAURKBEGFR
SCHEMBL2394293 0.88 ITK (0.46) PIK3CDITKLCKAURKBEGFR
SCHEMBL2394278 0.88 ITK (0.46) PIK3CDITKLCKAURKBEGFR
SCHEMBL2399394 0.86 PIK3CG (0.52) PIK3CDITKLCKAURKBEGFR
SCHEMBL2399382 0.86 PIK3CG (0.52) PIK3CDITKLCKAURKBEGFR
SCHEMBL2397504 0.84 PIK3CD (0.45) PIK3CDITKLCKAURKBEGFR

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