SCHEMBL3723149

SCHEMBL3723149

CC(C(=O)Nc1ccc2sc3c(-c4cccn5c(=O)cc(N6CCOCC6)nc45)cccc3c2c1)N1CCO[C@@H](C)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.60
PIK3CA P42336 18/20 0.44
PIK3CB P42338 16/20 0.44
PIK3CD O00329 15/20 0.44
MTOR P42345 1/20 0.38

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
SCHEMBL3717596 0.93 PRKDC (0.68) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3721331 0.93 PRKDC (0.68) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL13049072 0.93 PRKDC (0.68) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL13049064 0.89 PRKDC (0.63) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3721405 0.86 PRKDC (0.61) PRKDCPIK3CAPIK3CBPIK3CD
SCHEMBL3724523 0.86 PRKDC (0.61) PRKDCPIK3CAPIK3CBPIK3CD
SCHEMBL3715509 0.81 PRKDC (0.70) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3716359 0.81 PRKDC (0.79) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3719475 0.81 PRKDC (0.57) PRKDCPIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3793944 0.81 PRKDC (0.57) 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