SCHEMBL3716173

SCHEMBL3716173

Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 18/20 0.80
BRDT Q58F21 3/20 0.80
PIK3CD O00329 2/20 0.80
BRD4 O60885 2/20 0.80
PIK3CA P42336 2/20 0.80
PIK3CB P42338 2/20 0.80
MTOR P42345 2/20 0.80
PIK3CG P48736 2/20 0.80
KCNH2 Q12809 1/20 0.80
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PDE2A O00408 1/20 0.58
PIK3C2A O00443 1/20 0.58
PIK3R2 O00459 1/20 0.58
PIK3C2B O00750 1/20 0.58
PDE5A O76074 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL13049032 0.91 PRKDC (0.66) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL600096 0.89 PRKDC (1.00) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL29373835 0.89 PRKDC (1.00) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL29380743 0.89 PRKDC (1.00) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL30203800 0.89 PRKDC (1.00) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3717990 0.88 PRKDC (0.80) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3715022 0.87 PRKDC (0.77) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3717584 0.83 PRKDC (0.68) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL1942262 0.83 PRKDC (0.77) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3714756 0.82 PRKDC (0.67) PRKDCBRDTPIK3CDBRD4PIK3CA

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 2 patents. 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
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed