SCHEMBL2396496

SCHEMBL2396496

CC(C)Oc1cncc(-c2ccc3nc(Nc4cccc(N[C@H]5CC[C@H](O)CC5)n4)sc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.52
PIK3CA P42336 3/20 0.52
PIK3CD O00329 2/20 0.52
PIP5K1C O60331 1/20 0.52
PIK3CB P42338 1/20 0.52
PI4KA P42356 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
ITK Q08881 9/20 0.46
AURKB Q96GD4 9/20 0.46
LCK P06239 8/20 0.46
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
SRC P12931 1/20 0.44
TEC P42680 1/20 0.44
TXK P42681 1/20 0.44
BMX P51813 1/20 0.44
BTK Q06187 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL2396504 1.00 PIK3CG (0.52) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL2401269 0.92 PIK3CD (0.60) PIK3CGPIK3CAPIK3CDITKAURKB
SCHEMBL2401283 0.92 PIK3CD (0.60) PIK3CGPIK3CAPIK3CDITKAURKB
SCHEMBL2398651 0.89 PIK3CG (0.56) PIK3CGPIK3CAPIK3CDITKAURKB
SCHEMBL2398648 0.89 PIK3CG (0.56) PIK3CGPIK3CAPIK3CDITKAURKB
SCHEMBL2399204 0.88 PIK3CD (0.49) PIK3CGPIK3CAPIK3CDITKAURKB
SCHEMBL2399210 0.88 PIK3CD (0.49) PIK3CGPIK3CAPIK3CDITKAURKB
SCHEMBL143509 0.88 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL143510 0.88 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL2392836 0.88 PIK3CD (0.50) PIK3CGPIK3CAPIK3CDITKAURKB

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