SCHEMBL2395070

SCHEMBL2395070

C[C@@H](NCc1cc(Nc2nc3cccnc3s2)nc(N[C@H]2CC[C@H](O)CC2)c1)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.70
LCK P06239 13/20 0.59
AURKB Q96GD4 12/20 0.59
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
BMX P51813 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
SSTR5 P35346 1/20 0.38
POLB P06746 1/20 0.36
CDC7 O00311 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
SCHEMBL2397738 1.00 ITK (0.70) ITKLCKAURKBEGFRINSR
SCHEMBL2397749 1.00 ITK (0.70) ITKLCKAURKBEGFRINSR
SCHEMBL2398855 1.00 ITK (0.70) ITKLCKAURKBEGFRINSR
SCHEMBL140711 0.87 ITK (0.71) ITKLCKAURKBEGFRINSR
SCHEMBL140710 0.87 ITK (0.71) ITKLCKAURKBEGFRINSR
SCHEMBL2394354 0.86 ITK (0.61) ITKLCKAURKBEGFRINSR
SCHEMBL2394365 0.86 ITK (0.61) ITKLCKAURKBEGFRINSR
SCHEMBL25069003 0.86 ITK (0.76) ITKLCKAURKBBTKSSTR5
SCHEMBL23409058 0.86 ITK (0.76) ITKLCKAURKBBTKSSTR5
SCHEMBL2397346 0.86 ITK (0.57) 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