SCHEMBL3721340

SCHEMBL3721340

O=C(Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 0.72
BRDT Q58F21 2/20 0.72
PIK3CD O00329 1/20 0.72
BRD4 O60885 1/20 0.72
PIK3CA P42336 1/20 0.72
PIK3CB P42338 1/20 0.72
MTOR P42345 1/20 0.72
PIK3CG P48736 1/20 0.72
KCNH2 Q12809 1/20 0.72

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
SCHEMBL3717808 0.95 PRKDC (0.67) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL13049305 0.92 PRKDC (0.60) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3718354 0.91 PRKDC (0.64) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3718363 0.90 PRKDC (0.63) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3724259 0.89 PRKDC (0.68) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3718359 0.87 PRKDC (0.68) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3724264 0.87 PRKDC (0.68) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3716784 0.87 PRKDC (0.65) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3724216 0.87 PRKDC (0.61) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL3717309 0.87 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 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