SCHEMBL3714975

SCHEMBL3714975

CC(C)(C(=O)Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 0.66
BRDT Q58F21 2/20 0.66
PIK3CA P42336 2/20 0.66
PIK3CB P42338 2/20 0.66
MTOR P42345 2/20 0.66
PIK3CG P48736 2/20 0.66
PIK3CD O00329 1/20 0.66
BRD4 O60885 1/20 0.66
KCNH2 Q12809 1/20 0.66

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
SCHEMBL3725683 0.93 PRKDC (0.67) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL3717309 0.93 PRKDC (0.67) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL3719447 0.89 PRKDC (0.62) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL3714305 0.87 PRKDC (0.60) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL3811086 0.87 PRKDC (0.63) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL3721340 0.86 PRKDC (0.72) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL13050354 0.86 PRKDC (0.58) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL3723857 0.85 PRKDC (0.66) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL3715022 0.85 PRKDC (0.77) PRKDCBRDTPIK3CAPIK3CBMTOR
SCHEMBL13049360 0.85 PRKDC (0.56) PRKDCBRDTPIK3CAPIK3CBMTOR

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
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed