Sugi Predict

Sugi Predict / Compounds / SCHEMBL3721335

SCHEMBL3721335

SCHEMBL3721335

C[C@H]1COCCN1c1cc(=O)n2cccc(-c3cccc4c3sc3ccc(N(C)C(=O)CN5CCOCC5)cc34)c2n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.54
▸ PIK3CA P42336 10/20 0.37
▸ PIK3CD O00329 8/20 0.37
▸ PIK3CB P42338 7/20 0.37
▸ ATR Q13535 2/20 0.34
▸ MTOR P42345 7/20 0.34
▸ ATRIP Q8WXE1 1/20 0.33

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
SCHEMBL3724260 1.00 PRKDC (0.54) PRKDCPIK3CAPIK3CDPIK3CBATR
SCHEMBL13050361 0.92 PRKDC (0.52) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL13049364 0.92 PRKDC (0.52) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3718691 0.90 PRKDC (0.67) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3717803 0.87 PRKDC (0.57) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3717504 0.87 PRKDC (0.60) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3717508 0.87 PRKDC (0.60) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3716424 0.87 PRKDC (0.60) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3718124 0.86 PRKDC (0.63) PRKDCPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3717396 0.85 PRKDC (0.61) PRKDCPIK3CAPIK3CDPIK3CBMTOR

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