SCHEMBL2397161

SCHEMBL2397161

CCN(Cc1cc(Nc2nc3cccnc3s2)nc(N[C@H]2CC[C@H](O)CC2)c1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 17/20 0.59
LCK P06239 13/20 0.59
AURKB Q96GD4 12/20 0.59
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
SSTR5 P35346 1/20 0.39
POLB P06746 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
SCHEMBL2398353 0.90 ITK (0.61) ITKLCKAURKBEGFRINSR
SCHEMBL2397745 0.90 ITK (0.60) ITKLCKAURKBEGFRINSR
SCHEMBL2397757 0.90 ITK (0.60) ITKLCKAURKBEGFRINSR
SCHEMBL139615 0.87 ITK (0.71) ITKLCKAURKBEGFRINSR
SCHEMBL139616 0.87 ITK (0.71) ITKLCKAURKBEGFRINSR
SCHEMBL2370517 0.84 ITK (0.66) ITKLCKAURKBEGFRINSR
SCHEMBL2370507 0.84 ITK (0.66) ITKLCKAURKBEGFRINSR
SCHEMBL2394354 0.83 ITK (0.61) ITKLCKAURKBEGFRINSR
SCHEMBL2394365 0.83 ITK (0.61) ITKLCKAURKBEGFRINSR
SCHEMBL2395070 0.82 ITK (0.70) ITKLCKAURKBEGFRINSR

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