SCHEMBL3717987

SCHEMBL3717987

CN(C(=O)OC(C)(C)C)c1ccc2sc3c(-c4cccn5c(=O)cc(N6CCOCC6)nc45)cccc3c2c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.66
PIK3CA P42336 17/20 0.46
PIK3CB P42338 16/20 0.46
PIK3CD O00329 16/20 0.46
MTOR P42345 1/20 0.42

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
SCHEMBL13049300 0.93 PRKDC (0.55) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3717450 0.88 PRKDC (0.58) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3718172 0.87 PRKDC (0.68) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3718691 0.86 PRKDC (0.67) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3723185 0.86 PRKDC (0.66) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL13049313 0.86 PRKDC (0.66) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3721652 0.84 PRKDC (0.63) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3718124 0.84 PRKDC (0.63) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3717396 0.83 PRKDC (0.61) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3719111 0.83 PRKDC (0.61) PRKDCPIK3CAPIK3CBPIK3CDMTOR

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