SCHEMBL2370869

SCHEMBL2370869

OC1CCC(Nc2cccc(Nc3nc4ccc(Cl)nc4s3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.49
LCK P06239 11/20 0.49
AURKB Q96GD4 11/20 0.49
CCNT1 O60563 2/20 0.41
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
CHRNA7 P36544 2/20 0.40
HTR3A P46098 2/20 0.40
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL2370861 1.00 ITK (0.49) ITKLCKAURKBCCNT1IRAK4
SCHEMBL2397725 0.84 ITK (0.50) ITKLCKAURKBCCNT1IRAK4
SCHEMBL2397731 0.84 ITK (0.50) ITKLCKAURKBCCNT1IRAK4
SCHEMBL2395099 0.82 ITK (0.43) ITKLCKAURKBCCNT1IRAK4
SCHEMBL2395088 0.82 ITK (0.43) ITKLCKAURKBCCNT1IRAK4
SCHEMBL139961 0.80 ITK (0.59) ITKLCKAURKBIRAK4EGFR
SCHEMBL139962 0.80 ITK (0.59) ITKLCKAURKBIRAK4EGFR
SCHEMBL2382006 0.79 ITK (0.67) ITKLCKAURKBIRAK4EGFR
SCHEMBL2382012 0.79 ITK (0.67) ITKLCKAURKBIRAK4EGFR
SCHEMBL140612 0.78 ITK (0.81) 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