SCHEMBL2396612

SCHEMBL2396612

N#Cc1cncc(-c2ccc3nc(Nc4cc(CN5CCCC5)cc(N[C@H]5CC[C@H](O)CC5)n4)sc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 8/20 0.49
AURKB Q96GD4 8/20 0.49
LCK P06239 7/20 0.49
PIK3CG P48736 1/20 0.47
DYRK2 Q92630 4/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
SRC P12931 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BMX P51813 1/20 0.40
BTK Q06187 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
USP30 Q70CQ3 1/20 0.37
PIM1 P11309 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ACHE P22303 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
SCHEMBL2396623 1.00 ITK (0.49) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2395457 0.99 ITK (0.48) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2395449 0.99 ITK (0.48) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2396411 0.98 ITK (0.49) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2396414 0.98 ITK (0.49) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2395076 0.94 ITK (0.47) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2395080 0.94 ITK (0.47) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2397795 0.92 ITK (0.46) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2397799 0.92 ITK (0.46) ITKAURKBLCKPIK3CGDYRK2
SCHEMBL2396727 0.89 ITK (0.53) ITKAURKBLCKPIK3CGIRAK4

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