SCHEMBL3717401

SCHEMBL3717401

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 0.65
PIK3CA P42336 2/20 0.65
PIK3CB P42338 2/20 0.65
MTOR P42345 2/20 0.65
PIK3CG P48736 2/20 0.65
BRDT Q58F21 2/20 0.65
PIK3CD O00329 1/20 0.65
BRD4 O60885 1/20 0.65
KCNH2 Q12809 1/20 0.65

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
SCHEMBL3717994 1.00 PRKDC (0.65) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3714379 1.00 PRKDC (0.65) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL13049063 0.96 PRKDC (0.60) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3718039 0.93 PRKDC (0.62) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3793944 0.92 PRKDC (0.57) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3725164 0.92 PRKDC (0.57) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3719475 0.92 PRKDC (0.57) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3723857 0.91 PRKDC (0.66) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL13050066 0.86 PRKDC (0.49) PRKDCPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3717309 0.85 PRKDC (0.67) PRKDCPIK3CAPIK3CBMTORPIK3CG

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