SCHEMBL2369714

SCHEMBL2369714

O[C@H]1CC[C@H](Nc2cccc(Nc3nc4ccc(-c5cccnc5)cc4s3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.52
PIK3CG P48736 1/20 0.52
ABL1 P00519 2/20 0.52
ITK Q08881 10/20 0.49
PIK3CD O00329 2/20 0.46
PIP5K1C O60331 1/20 0.46
PI4KA P42356 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
LCK P06239 8/20 0.45
AURKB Q96GD4 8/20 0.45
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
SRC P12931 1/20 0.44
TEC P42680 1/20 0.44
TXK P42681 1/20 0.44
BMX P51813 1/20 0.44
BTK Q06187 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL2369722 1.00 PIK3CA (0.52) PIK3CAPIK3CGABL1ITKPIK3CD
SCHEMBL2370102 0.89 ITK (0.51) PIK3CAPIK3CGABL1ITKPIK3CD
SCHEMBL2370095 0.89 ITK (0.51) PIK3CAPIK3CGABL1ITKPIK3CD
SCHEMBL2396679 0.89 ITK (0.57) PIK3CGABL1ITKLCKAURKB
SCHEMBL2396683 0.89 ITK (0.57) PIK3CGABL1ITKLCKAURKB
SCHEMBL2399394 0.87 PIK3CG (0.52) PIK3CGABL1ITKPIK3CDLCK
SCHEMBL2399382 0.87 PIK3CG (0.52) PIK3CGABL1ITKPIK3CDLCK
SCHEMBL2397647 0.86 ABL1 (0.56) PIK3CAABL1ITKLCKAURKB
SCHEMBL2397651 0.86 ABL1 (0.56) PIK3CAABL1ITKLCKAURKB
SCHEMBL2398339 0.85 ITK (0.48) PIK3CAPIK3CGABL1ITKPIK3CD

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