SCHEMBL2396068

SCHEMBL2396068

O[C@H]1CC[C@H](Nc2cc(CN3CCCC3)cc(Nc3nc4ccc(-c5cn[nH]c5)cc4s3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.48
USP30 Q70CQ3 4/20 0.47
LCK P06239 10/20 0.44
AURKB Q96GD4 8/20 0.44
DYRK2 Q92630 3/20 0.42
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
OTUD7B Q6GQQ9 1/20 0.40

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
SCHEMBL2396064 1.00 ITK (0.48) ITKUSP30LCKAURKBDYRK2
SCHEMBL2398168 0.88 ITK (0.50) ITKUSP30LCKAURKBEGFR
SCHEMBL2398171 0.88 ITK (0.50) ITKUSP30LCKAURKBEGFR
SCHEMBL137845 0.88 AURKB (0.53) ITKUSP30LCKAURKBDYRK2
SCHEMBL137844 0.88 AURKB (0.53) ITKUSP30LCKAURKBDYRK2
SCHEMBL2370890 0.86 ITK (0.46) ITKUSP30LCKAURKBEGFR
SCHEMBL2370898 0.86 ITK (0.46) ITKUSP30LCKAURKBEGFR
SCHEMBL2399553 0.85 ITK (0.57) ITKUSP30LCKAURKBEGFR
SCHEMBL2399554 0.85 ITK (0.57) ITKUSP30LCKAURKBEGFR
SCHEMBL2370218 0.85 ITK (0.43) ITKUSP30LCKAURKBEGFR

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 2 patents. 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
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