SCHEMBL2401283

SCHEMBL2401283

COc1cncc(-c2ccc3nc(Nc4cccc(NC5CCC(O)CC5)n4)sc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.60
PIK3CG P48736 12/20 0.55
PIK3CA P42336 8/20 0.52
ITK Q08881 5/20 0.51
LCK P06239 4/20 0.51
AURKB Q96GD4 4/20 0.51
FYN P06241 1/20 0.47
IRAK4 Q9NWZ3 2/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
SRC P12931 1/20 0.43
TEC P42680 1/20 0.43
TXK P42681 1/20 0.43
BMX P51813 1/20 0.43
BTK Q06187 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL2401269 1.00 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2396496 0.92 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2396504 0.92 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2398648 0.91 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2398651 0.91 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2399210 0.90 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2399204 0.90 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2402111 0.89 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2392836 0.89 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2402107 0.89 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAITKLCK

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