SCHEMBL17907100

SCHEMBL17907100

COc1ncc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.42
ATM Q13315 1/20 0.42
PIK3CD O00329 6/20 0.36
PIK3R1 P27986 5/20 0.36
PIK3CA P42336 5/20 0.36
PIK3CB P42338 5/20 0.36
PIK3CG P48736 5/20 0.36
RIPK2 O43353 2/20 0.35
RAB9A P51151 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
PRKDC P78527 1/20 0.34
STAT6 P42226 1/20 0.34
KIT P10721 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17907051 0.95 PIK3C3 (0.42) PIK3C3ATMPIK3CDPIK3CAPIK3CB
SCHEMBL17907109 0.89 PIK3C3 (0.43) PIK3C3ATMPIK3CDPIK3CAPIK3CB
SCHEMBL17906841 0.88 PIK3C3 (0.40) PIK3C3ATMPIK3CAPIK3CBRIPK2
SCHEMBL17906974 0.87 PIK3C3 (0.44) PIK3C3ATMPIK3CDPIK3R1PIK3CA
SCHEMBL17821069 0.87 ATM (0.47) PIK3C3ATMPIK3CDPIK3CAPIK3CB
SCHEMBL17906711 0.87 PIK3C3 (0.41) PIK3C3ATMPIK3CAPIK3CBRIPK2
SCHEMBL17907177 0.86 PIK3C3 (0.43) PIK3C3ATMPIK3CAPIK3CBRIPK2
SCHEMBL17819523 0.86 PIK3C3 (0.45) PIK3C3ATMPIK3CDPIK3CAPIK3CB
SCHEMBL17819419 0.86 PIK3C3 (0.40) PIK3C3ATMPIK3CAPIK3CBRAB9A
SCHEMBL17906982 0.86 PIK3C3 (0.40) PIK3C3ATMPIK3CAPIK3CBRAB9A

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
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed