SCHEMBL2371003

SCHEMBL2371003

CN1CCN(c2ccc3nc(Nc4cccc(N[C@H]5CC[C@H](O)CC5)n4)sc3c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.47
LCK P06239 14/20 0.44
AURKB Q96GD4 12/20 0.44
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
SRC P12931 1/20 0.43
TEC P42680 1/20 0.43
TXK P42681 1/20 0.43
BMX P51813 1/20 0.43
BTK Q06187 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL2371013 1.00 ITK (0.47) ITKLCKAURKBEGFRINSR
SCHEMBL2395694 0.88 ITK (0.45) ITKLCKAURKBEGFRINSR
SCHEMBL2395697 0.88 ITK (0.45) ITKLCKAURKBEGFRINSR
SCHEMBL2396127 0.88 ITK (0.44) ITKLCKAURKBEGFRINSR
SCHEMBL2396118 0.88 ITK (0.44) ITKLCKAURKBEGFRINSR
SCHEMBL2397085 0.84 ITK (0.47) ITKLCKAURKBEGFRINSR
SCHEMBL2397090 0.84 ITK (0.47) ITKLCKAURKBEGFRINSR
SCHEMBL2395751 0.84 ITK (0.49) ITKLCKAURKBEGFRINSR
SCHEMBL2399126 0.84 ITK (0.49) ITKLCKAURKBEGFRINSR
SCHEMBL2395763 0.84 ITK (0.49) ITKLCKAURKBEGFRINSR

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