SCHEMBL2397757

SCHEMBL2397757

CCN(CC)Cc1cc(Nc2nc3cccnc3s2)nc(NC2CCC(O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.60
AURKB Q96GD4 12/20 0.60
LCK P06239 12/20 0.60
SSTR5 P35346 1/20 0.43
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
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.39
CDC7 O00311 1/20 0.37

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
SCHEMBL2397745 1.00 ITK (0.60) ITKAURKBLCKSSTR5EGFR
SCHEMBL2397161 0.90 ITK (0.59) ITKAURKBLCKSSTR5EGFR
SCHEMBL2398353 0.88 ITK (0.61) ITKAURKBLCKSSTR5EGFR
SCHEMBL2370507 0.87 ITK (0.66) ITKAURKBLCKSSTR5EGFR
SCHEMBL2370517 0.87 ITK (0.66) ITKAURKBLCKSSTR5EGFR
SCHEMBL13189315 0.86 ITK (0.73) ITKAURKBLCKSSTR5EGFR
SCHEMBL138614 0.86 ITK (0.73) ITKAURKBLCKSSTR5EGFR
SCHEMBL138613 0.86 ITK (0.73) ITKAURKBLCKSSTR5EGFR
SCHEMBL2394354 0.82 ITK (0.61) ITKAURKBLCKSSTR5EGFR
SCHEMBL2394365 0.82 ITK (0.61) ITKAURKBLCKSSTR5EGFR

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