SCHEMBL2399554

SCHEMBL2399554

O[C@H]1CC[C@H](Nc2cc(Cc3ccccc3)cc(Nc3nc4ccc(-c5cn[nH]c5)cc4s3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.57
LCK P06239 14/20 0.57
AURKB Q96GD4 12/20 0.57
EGFR P00533 1/20 0.55
INSR P06213 1/20 0.55
SRC P12931 1/20 0.55
TEC P42680 1/20 0.55
TXK P42681 1/20 0.55
BMX P51813 1/20 0.55
BTK Q06187 1/20 0.55
LRRK2 Q5S007 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
ROCK2 O75116 3/20 0.48
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL2399553 1.00 ITK (0.57) ITKLCKAURKBEGFRINSR
SCHEMBL2398171 0.90 ITK (0.50) ITKLCKAURKBEGFRINSR
SCHEMBL2398168 0.90 ITK (0.50) ITKLCKAURKBEGFRINSR
SCHEMBL2396640 0.90 ITK (0.51) ITKLCKAURKBEGFRINSR
SCHEMBL2396639 0.90 ITK (0.51) ITKLCKAURKBEGFRINSR
SCHEMBL145563 0.89 ITK (0.75) ITKLCKAURKBEGFRINSR
SCHEMBL145562 0.89 ITK (0.75) ITKLCKAURKBEGFRINSR
SCHEMBL2370649 0.86 ITK (0.51) ITKLCKAURKBEGFRINSR
SCHEMBL2370660 0.86 ITK (0.51) ITKLCKAURKBEGFRINSR
SCHEMBL2396068 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