SCHEMBL3716359

SCHEMBL3716359

CNc1ccc2sc3c(-c4cccn5c(=O)cc(N6CCOCC6)nc45)cccc3c2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.79
PIK3CD O00329 17/20 0.50
PIK3CA P42336 16/20 0.50
PIK3CB P42338 15/20 0.50
MTOR P42345 1/20 0.49

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
SCHEMBL4109272 0.88 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL3717834 0.88 PRKDC (0.81) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL3717836 0.88 PRKDC (0.81) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL3715509 0.87 PRKDC (0.70) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL3718685 0.86 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL3718346 0.86 PRKDC (0.73) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL3717596 0.86 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL13049301 0.86 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL3721331 0.86 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL13049072 0.86 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBMTOR

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