SCHEMBL17907016

SCHEMBL17907016

N#Cc1ccc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.39
ATM Q13315 1/20 0.39
JAK2 O60674 6/20 0.38
JAK1 P23458 4/20 0.38
PRKDC P78527 1/20 0.35
JAK3 P52333 3/20 0.35
TYK2 P29597 1/20 0.35
CHEK1 O14757 3/20 0.34
EGLN1 Q9GZT9 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 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
SCHEMBL17906836 0.90 PIK3C3 (0.44) PIK3C3ATMJAK2JAK1PRKDC
SCHEMBL17906841 0.90 PIK3C3 (0.40) PIK3C3ATMJAK2JAK1PRKDC
SCHEMBL17906982 0.89 PIK3C3 (0.40) PIK3C3ATMJAK2JAK1PRKDC
SCHEMBL17907109 0.88 PIK3C3 (0.43) PIK3C3ATMJAK2PRKDCJAK3
SCHEMBL17820381 0.88 PIK3C3 (0.40) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17906711 0.87 PIK3C3 (0.41) PIK3C3ATMJAK2JAK1PRKDC
SCHEMBL17819419 0.86 PIK3C3 (0.40) PIK3C3ATMJAK2JAK1PRKDC
SCHEMBL17820983 0.85 PIK3C3 (0.41) PIK3C3ATMJAK2JAK1PRKDC
SCHEMBL17820610 0.84 PIK3C3 (0.41) PIK3C3ATMJAK2JAK1PRKDC
SCHEMBL17906821 0.84 PIK3C3 (0.40) PIK3C3ATMJAK2JAK1PRKDC

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