SCHEMBL13049299

SCHEMBL13049299

Nc1ccc2sc3c(-c4cccn5c(=O)cc(N6CCCCC6)nc45)cccc3c2c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.67
MTOR P42345 1/20 0.39
PIK3CD O00329 12/20 0.35
PIK3CB P42338 12/20 0.35
PIK3CA P42336 10/20 0.35

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
SCHEMBL3717834 0.91 PRKDC (0.81) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13049069 0.88 PRKDC (0.61) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13049328 0.83 PRKDC (0.57) PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL13049915 0.82 PRKDC (0.58) PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL13050063 0.81 PRKDC (0.55) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL4109272 0.80 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3717836 0.80 PRKDC (0.81) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13049300 0.79 PRKDC (0.55) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13049071 0.79 PRKDC (0.53) PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL13050051 0.79 PRKDC (0.54) PRKDCMTORPIK3CDPIK3CBPIK3CA

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