SCHEMBL2370898

SCHEMBL2370898

O[C@H]1CC[C@H](Nc2cc(Cn3cccn3)cc(Nc3nc4ccc(-c5cn[nH]c5)cc4s3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.46
LCK P06239 12/20 0.44
AURKB Q96GD4 9/20 0.44
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
USP30 Q70CQ3 4/20 0.43
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
ROCK2 O75116 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
SCHEMBL2370890 1.00 ITK (0.46) ITKLCKAURKBEGFRINSR
SCHEMBL2396960 0.89 ITK (0.44) ITKLCKAURKBEGFRINSR
SCHEMBL2396962 0.89 ITK (0.44) ITKLCKAURKBEGFRINSR
SCHEMBL2396068 0.86 ITK (0.48) ITKLCKAURKBEGFRINSR
SCHEMBL2396064 0.86 ITK (0.48) ITKLCKAURKBEGFRINSR
SCHEMBL2398168 0.86 ITK (0.50) ITKLCKAURKBEGFRINSR
SCHEMBL2398171 0.86 ITK (0.50) ITKLCKAURKBEGFRINSR
SCHEMBL2370218 0.85 ITK (0.43) ITKLCKAURKBEGFRINSR
SCHEMBL2370215 0.85 ITK (0.43) ITKLCKAURKBEGFRINSR
SCHEMBL2370870 0.85 ITK (0.48) 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