SCHEMBL13437671

SCHEMBL13437671

N=Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c12

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 5/20 0.73
MTOR P42345 2/20 0.50
PIK3CD O00329 14/20 0.45
PIK3CB P42338 14/20 0.45
PIK3CA P42336 14/20 0.45
BRD4 O60885 1/20 0.41
PIK3CG P48736 1/20 0.41
KCNH2 Q12809 1/20 0.41
BRDT Q58F21 1/20 0.41

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
SCHEMBL13403517 0.88 PRKDC (0.78) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13403506 0.87 PRKDC (0.77) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL4109272 0.85 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13403505 0.84 PRKDC (0.72) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL4111209 0.80 PRKDC (0.66) PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL4110120 0.80 PRKDC (0.65) PRKDC
SCHEMBL3717836 0.78 PRKDC (0.81) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3717834 0.78 PRKDC (0.81) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3716359 0.76 PRKDC (0.79) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL3718346 0.74 PRKDC (0.73) 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
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed