SCHEMBL17907145

SCHEMBL17907145

N#Cc1ccnc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.45
PIK3C3 Q8NEB9 4/20 0.45
TBK1 Q9UHD2 4/20 0.41
PRKDC P78527 2/20 0.38
PIK3CA P42336 2/20 0.37
AKT1 P31749 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TNIK Q9UKE5 2/20 0.34
BCL6 P41182 1/20 0.34
HTT P42858 1/20 0.34
KCNH2 Q12809 1/20 0.33
MST1 P26927 1/20 0.33
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
LRRK2 Q5S007 1/20 0.33
STK26 Q9P289 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL17819729 0.90 ATM (0.46) ATMPIK3C3PRKDCPIK3CAAKT1
SCHEMBL17820249 0.90 ATM (0.48) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820130 0.89 ATM (0.46) ATMPIK3C3TBK1PRKDCPIK3CA
SCHEMBL17906932 0.88 ATM (0.57) ATMPIK3C3TBK1PRKDCPIK3CA
SCHEMBL17906856 0.88 PIK3C3 (0.46) ATMPIK3C3PRKDCPIK3CAAKT1
SCHEMBL17819416 0.88 ATM (0.47) ATMPIK3C3TBK1PRKDCPIK3CA
SCHEMBL17821092 0.88 ATM (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820371 0.87 ATM (0.48) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820228 0.87 ATM (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820678 0.86 ATM (0.47) ATMPIK3C3PRKDCPIK3CAAKT1

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