SCHEMBL176122

SCHEMBL176122

COc1cc2ncc3c(c2cc1CCc1ccsc1)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1O)n(-c1ccc(C#N)cc1F)c(=O)n3C

nearest known ligand 0.92

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.92
ATM Q13315 7/20 0.59
KCNH2 Q12809 5/20 0.34
PDGFRB P09619 1/20 0.33
ATR Q13535 1/20 0.33
MAP2K1 Q02750 1/20 0.32
GPR6 P46095 1/20 0.32

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
SCHEMBL167275 0.96 PRKDC (1.00) PRKDCATMKCNH2MAP2K1GPR6
SCHEMBL167830 0.87 PRKDC (0.75) PRKDCATMKCNH2PDGFRBATR
SCHEMBL10059173 0.86 PRKDC (0.82) PRKDCATMMAP2K1
SCHEMBL167978 0.85 PRKDC (0.80) PRKDCATM
SCHEMBL256582 0.82 PRKDC (0.74) PRKDCATMKCNH2ATR
SCHEMBL20031059 0.81 PRKDC (0.77) PRKDCATM
SCHEMBL257198 0.79 PRKDC (0.81) PRKDCATMKCNH2
SCHEMBL167419 0.79 PRKDC (0.81) PRKDCATMKCNH2
SCHEMBL10059170 0.78 PRKDC (0.73) PRKDCATMKCNH2
SCHEMBL166327 0.78 PRKDC (0.72) PRKDCATM

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
EP-2609082-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012028233-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed