SCHEMBL3714592

SCHEMBL3714592

CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 20/20 0.57
PIK3CD O00329 1/20 0.57
BRD4 O60885 1/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
MTOR P42345 1/20 0.57
PIK3CG P48736 1/20 0.57
KCNH2 Q12809 1/20 0.57
BRDT Q58F21 1/20 0.57

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
SCHEMBL13049914 0.94 PRKDC (0.49) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3718573 0.85 PRKDC (0.54) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3719419 0.84 PRKDC (0.63) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3717821 0.84 PRKDC (0.57) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3724159 0.84 PRKDC (0.65) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL13049911 0.84 PRKDC (0.54) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3717309 0.84 PRKDC (0.67) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3714756 0.84 PRKDC (0.67) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3714305 0.83 PRKDC (0.60) PRKDCPIK3CDBRD4PIK3CAPIK3CB
SCHEMBL3718114 0.83 PRKDC (0.63) PRKDCPIK3CDBRD4PIK3CAPIK3CB

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