SCHEMBL10060792

SCHEMBL10060792

CCc1ccc(-c2cc3c(cc2OC)ncc2c3n(-c3ccc(C#N)cc3F)c(=O)n2C)cn1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.74
PRKDC P78527 10/20 0.70
KCNH2 Q12809 8/20 0.48
ATR Q13535 1/20 0.47

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
SCHEMBL257265 0.90 ATM (0.78) ATMPRKDCKCNH2ATR
SCHEMBL257264 0.86 ATM (0.76) ATMPRKDCKCNH2
SCHEMBL166632 0.86 ATM (0.76) ATMPRKDCKCNH2ATR
SCHEMBL167830 0.85 PRKDC (0.75) ATMPRKDCKCNH2ATR
SCHEMBL20031059 0.85 PRKDC (0.77) ATMPRKDC
SCHEMBL29614884 0.85 ATM (1.00) ATMPRKDCKCNH2ATR
SCHEMBL256590 0.85 ATM (0.78) ATMPRKDCKCNH2
SCHEMBL257266 0.85 ATM (1.00) ATMPRKDCKCNH2ATR
SCHEMBL10059170 0.83 PRKDC (0.73) ATMPRKDCKCNH2
SCHEMBL256588 0.82 PRKDC (1.00) ATMPRKDCKCNH2

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-2012028233-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed