SCHEMBL2397090

SCHEMBL2397090

O=C1OCCN1c1ccc2nc(Nc3cccc(NC4CCC(O)CC4)n3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.47
LCK P06239 12/20 0.42
AURKB Q96GD4 10/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
BMX P51813 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
CCNT1 O60563 1/20 0.36
TYK2 P29597 1/20 0.35
CLK1 P49759 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL2397085 1.00 ITK (0.47) ITKLCKAURKBIRAK4EGFR
SCHEMBL2370629 0.88 ITK (0.47) ITKLCKAURKBIRAK4EGFR
SCHEMBL2370625 0.88 ITK (0.47) ITKLCKAURKBIRAK4EGFR
SCHEMBL2370459 0.88 ITK (0.46) ITKLCKAURKBIRAK4EGFR
SCHEMBL2370481 0.88 ITK (0.46) ITKLCKAURKBIRAK4EGFR
SCHEMBL2400507 0.85 ITK (0.46) ITKLCKAURKBIRAK4EGFR
SCHEMBL2400516 0.85 ITK (0.46) ITKLCKAURKBIRAK4EGFR
SCHEMBL2371003 0.84 ITK (0.47) ITKLCKAURKBIRAK4EGFR
SCHEMBL2371013 0.84 ITK (0.47) ITKLCKAURKBIRAK4EGFR
SCHEMBL2395763 0.84 ITK (0.49) ITKLCKAURKBIRAK4EGFR

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