SCHEMBL2396521

SCHEMBL2396521

O=C(c1cncc(-c2ccc3nc(Nc4cccc(N[C@H]5CC[C@H](O)CC5)n4)sc3n2)c1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
CCNT1 O60563 2/20 0.39
ITK Q08881 4/20 0.39
PIK3CA P42336 1/20 0.39
LCK P06239 3/20 0.37
AURKB Q96GD4 3/20 0.37
CCNE1 P24864 4/20 0.37
CDK2 P24941 4/20 0.37
CTSA P10619 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
CHEK1 O14757 1/20 0.36
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL2396976 0.80 PIK3CG (0.49) DYRK1AIRAK4ITKLCKAURKB
SCHEMBL2396989 0.80 PIK3CG (0.49) DYRK1AIRAK4ITKLCKAURKB
Trifluoroacetic Acid SCHEMBL2370610 0.79 IRAK4 (0.41) DYRK1AIRAK4ITKLCKAURKB
SCHEMBL2397731 0.78 ITK (0.50) IRAK4CCNT1ITKLCKAURKB
SCHEMBL2397725 0.78 ITK (0.50) IRAK4CCNT1ITKLCKAURKB
SCHEMBL2395088 0.76 ITK (0.43) DYRK1AIRAK4CCNT1ITKPIK3CA
SCHEMBL2395099 0.76 ITK (0.43) DYRK1AIRAK4CCNT1ITKPIK3CA
SCHEMBL2397615 0.74 ITK (0.39) CCNT1ITKLCKAURKB
SCHEMBL2370617 0.73 IRAK4 (0.39) IRAK4ITKLCKAURKBCDK2
SCHEMBL2370612 0.73 IRAK4 (0.39) IRAK4ITKLCKAURKBCDK2

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