SCHEMBL3716445

SCHEMBL3716445

CN1CCN(CC(=O)Nc2ccc3sc4c(-c5cccn6c(=O)cc(N7CCOCC7)nc56)cccc4c3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.65
PIK3CA P42336 14/20 0.49
PIK3CD O00329 12/20 0.49
PIK3CB P42338 12/20 0.48
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL3715572 0.95 PRKDC (0.70) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3724544 0.94 PRKDC (0.65) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3725329 0.94 PRKDC (0.64) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL13050044 0.93 PRKDC (0.54) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL13049345 0.91 PRKDC (0.64) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3718030 0.89 PRKDC (0.68) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3724523 0.89 PRKDC (0.61) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3721405 0.89 PRKDC (0.61) PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3718685 0.88 PRKDC (0.71) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL13049301 0.88 PRKDC (0.68) PRKDCPIK3CAPIK3CDPIK3CB

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