SCHEMBL2370517

SCHEMBL2370517

OCc1cc(Nc2nc3cccnc3s2)nc(NC2CCC(O)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.66
AURKB Q96GD4 12/20 0.66
LCK P06239 12/20 0.66
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42
SRC P12931 1/20 0.42
TEC P42680 1/20 0.42
TXK P42681 1/20 0.42
BMX P51813 1/20 0.42
BTK Q06187 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
SSTR5 P35346 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDC7 O00311 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
SCHEMBL2370507 1.00 ITK (0.66) ITKAURKBLCKEGFRINSR
SCHEMBL2397757 0.87 ITK (0.60) ITKAURKBLCKEGFRINSR
SCHEMBL2370863 0.87 ITK (0.60) ITKAURKBLCKEGFRINSR
SCHEMBL2370895 0.87 ITK (0.60) ITKAURKBLCKEGFRINSR
SCHEMBL2397745 0.87 ITK (0.60) ITKAURKBLCKEGFRINSR
SCHEMBL2370961 0.86 ITK (0.59) ITKAURKBLCKEGFRINSR
SCHEMBL2370951 0.86 ITK (0.59) ITKAURKBLCKEGFRINSR
SCHEMBL2399332 0.86 ITK (0.59) ITKAURKBLCKEGFRINSR
SCHEMBL2399344 0.86 ITK (0.59) ITKAURKBLCKEGFRINSR
SCHEMBL2394365 0.85 ITK (0.61) ITKAURKBLCKEGFRINSR

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