SCHEMBL2396598

SCHEMBL2396598

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.46
PIK3CG P48736 1/20 0.44
ITK Q08881 8/20 0.43
LCK P06239 6/20 0.43
AURKB Q96GD4 6/20 0.43
LIPG Q9Y5X9 5/20 0.42
OTUD7B Q6GQQ9 1/20 0.40
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
SRC P12931 1/20 0.39
TEC P42680 1/20 0.39
TXK P42681 1/20 0.39
BMX P51813 1/20 0.39
BTK Q06187 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
IRAK4 Q9NWZ3 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
SCHEMBL2396602 1.00 ABL1 (0.46) ABL1PIK3CGITKLCKAURKB
Trifluoroacetic Acid SCHEMBL2396596 0.87 ITK (0.53) ABL1PIK3CGITKLCKAURKB
SCHEMBL2396683 0.83 ITK (0.57) ABL1PIK3CGITKLCKAURKB
SCHEMBL2396679 0.83 ITK (0.57) ABL1PIK3CGITKLCKAURKB
SCHEMBL140132 0.76 LCK (0.59) PIK3CGITKLCKAURKBEGFR
SCHEMBL2370102 0.76 ITK (0.51) ABL1PIK3CGITKLCKAURKB
SCHEMBL2370095 0.76 ITK (0.51) ABL1PIK3CGITKLCKAURKB
SCHEMBL2396582 0.74 PIK3CD (0.46) ABL1PIK3CGITKLCKAURKB
SCHEMBL144766 0.74 AURKB (0.58) ABL1ITKLCKAURKBEGFR
SCHEMBL144767 0.74 AURKB (0.58) ABL1ITKLCKAURKBEGFR

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