SCHEMBL2370293

SCHEMBL2370293

Cc1nccn1Cc1cc(Nc2nc3ccc(N4CCOC4=O)cc3s2)nc(N[C@H]2CC[C@H](O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.41
AURKB Q96GD4 13/20 0.41
LCK P06239 13/20 0.41
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
SRC P12931 1/20 0.39
TEC P42680 1/20 0.39
TXK P42681 1/20 0.39
BMX P51813 1/20 0.39
BTK Q06187 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
P2RX3 P56373 1/20 0.32

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
SCHEMBL2370290 1.00 ITK (0.41) ITKAURKBLCKEGFRINSR
SCHEMBL2414521 0.88 ITK (0.42) ITKAURKBLCKEGFRINSR
SCHEMBL2420049 0.88 ITK (0.42) ITKAURKBLCKEGFRINSR
SCHEMBL2420052 0.88 ITK (0.42) ITKAURKBLCKEGFRINSR
SCHEMBL2414524 0.88 ITK (0.42) ITKAURKBLCKEGFRINSR
SCHEMBL2369772 0.86 ITK (0.43) ITKAURKBLCKEGFRINSR
SCHEMBL2369767 0.86 ITK (0.43) ITKAURKBLCKEGFRINSR
SCHEMBL2370069 0.86 ITK (0.40) ITKAURKBLCKEGFRINSR
SCHEMBL2370066 0.86 ITK (0.40) ITKAURKBLCKEGFRINSR
SCHEMBL2400507 0.86 ITK (0.46) 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