SCHEMBL3718124

SCHEMBL3718124

CCN1CCN(CC(=O)N(C)c2ccc3sc4c(-c5cccn6c(=O)cc(N7CCOCC7)nc56)cccc4c3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.63
PIK3CA P42336 18/20 0.46
PIK3CB P42338 14/20 0.46
PIK3CD O00329 14/20 0.46
MTOR P42345 2/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL3718691 0.96 PRKDC (0.67) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3717396 0.93 PRKDC (0.61) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL13049306 0.93 PRKDC (0.53) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3718172 0.89 PRKDC (0.68) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3716424 0.89 PRKDC (0.60) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3717504 0.89 PRKDC (0.60) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3717508 0.89 PRKDC (0.60) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3717803 0.89 PRKDC (0.57) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3724260 0.86 PRKDC (0.54) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3721335 0.86 PRKDC (0.54) 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