SCHEMBL17907226

SCHEMBL17907226

COc1ccc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)nc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 13/20 0.57
PIK3C3 Q8NEB9 6/20 0.57
RAB9A P51151 1/20 0.39
PIK3CA P42336 4/20 0.38
PRKDC P78527 3/20 0.37
PIK3CB P42338 2/20 0.36
PIK3CD O00329 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
MTOR P42345 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL17820997 0.91 ATM (0.48) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17906932 0.90 ATM (0.57) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17820084 0.88 ATM (0.48) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17819450 0.87 ATM (0.55) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17906628 0.87 ATM (0.52) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17819494 0.87 ATM (0.46) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17820228 0.86 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819908 0.86 ATM (0.51) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17820130 0.85 ATM (0.46) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17820678 0.85 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB

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