SCHEMBL3718346

SCHEMBL3718346

O=C(Nc1ccc2sc3c(-c4cccn5c(=O)cc(N6CCOCC6)nc45)cccc3c2c1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.73
PIK3CA P42336 15/20 0.62
PIK3CD O00329 13/20 0.62
PIK3CB P42338 11/20 0.62
MTOR P42345 1/20 0.47
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL3714377 0.92 PRKDC (0.66) PRKDCPIK3CAPIK3CDPIK3CBTP53
SCHEMBL3718685 0.88 PRKDC (0.71) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3718030 0.87 PRKDC (0.68) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3796411 0.87 PRKDC (0.70) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3715572 0.87 PRKDC (0.70) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3715509 0.87 PRKDC (0.70) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3716359 0.86 PRKDC (0.79) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3717044 0.86 PRKDC (0.64) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3717596 0.86 PRKDC (0.68) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL13049072 0.86 PRKDC (0.68) PRKDCPIK3CAPIK3CDPIK3CBMTOR

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