SCHEMBL17907109

SCHEMBL17907109

COc1ccc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.43
ATM Q13315 2/20 0.43
RAB9A P51151 2/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKDC P78527 1/20 0.35
RIPK2 O43353 1/20 0.35
GAA P10253 5/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
PIK3CA P42336 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL17907177 0.90 PIK3C3 (0.43) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17906982 0.90 PIK3C3 (0.40) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17906836 0.90 PIK3C3 (0.44) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17906841 0.90 PIK3C3 (0.40) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17907051 0.89 PIK3C3 (0.42) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17906711 0.89 PIK3C3 (0.41) PIK3C3ATMRAB9APRKDCRIPK2
SCHEMBL17907100 0.89 PIK3C3 (0.42) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17821069 0.88 ATM (0.47) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17907016 0.88 PIK3C3 (0.39) PIK3C3ATMRAB9ACLK1DYRK1A
SCHEMBL17819419 0.88 PIK3C3 (0.40) PIK3C3ATMRAB9APRKDCGAA

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