SCHEMBL3717836

SCHEMBL3717836

O=c1cc(N2CCOCC2)nc2c(-c3cccc4c3sc3ccc(O)cc34)cccn12

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.81
MTOR P42345 1/20 0.51
PIK3CD O00329 15/20 0.47
PIK3CB P42338 15/20 0.47
PIK3CA P42336 14/20 0.47

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
SCHEMBL4109272 0.90 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3717834 0.89 PRKDC (0.81) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3716359 0.88 PRKDC (0.79) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3796411 0.85 PRKDC (0.70) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3718685 0.84 PRKDC (0.71) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3718346 0.84 PRKDC (0.73) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3721331 0.84 PRKDC (0.68) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13049072 0.84 PRKDC (0.68) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3717596 0.84 PRKDC (0.68) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13403517 0.84 PRKDC (0.78) 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