SCHEMBL16488202

SCHEMBL16488202

COc1cc2ncc3c(c2cc1OC(C(N)=O)c1ccc(F)cc1)n(-c1c(C)cc(C#N)cc1F)c(=O)n3C

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 16/20 0.63
ATM Q13315 2/20 0.47
CSF1R P07333 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL257582 0.96 PRKDC (0.66) PRKDCATMCSF1R
SCHEMBL257162 0.89 PRKDC (0.78) PRKDCATMCSF1R
SCHEMBL256574 0.83 PRKDC (0.70) PRKDCATM
SCHEMBL257311 0.79 PRKDC (0.60) PRKDCATM
SCHEMBL10059983 0.78 PRKDC (0.57) PRKDCATM
SCHEMBL256572 0.77 PRKDC (1.00) PRKDCATM
SCHEMBL10060791 0.77 PRKDC (1.00) PRKDCATM
SCHEMBL15064494 0.76 PRKDC (0.59) PRKDCATM
SCHEMBL15006872 0.76 PRKDC (0.72) PRKDC
SCHEMBL15006756 0.74 PRKDC (0.86) PRKDC

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
EP-2609082-B1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed