SCHEMBL20031060

SCHEMBL20031060

COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1O[C@@H](C(N)=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 20/20 0.63

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
SCHEMBL3425631 1.00 PRKDC (0.63) PRKDC
SCHEMBL15006872 0.94 PRKDC (0.72) PRKDC
SCHEMBL3418762 0.89 PRKDC (0.53) PRKDC
SCHEMBL15006674 0.86 PRKDC (0.78) PRKDC
SCHEMBL16215874 0.85 PRKDC (0.54) PRKDC
SCHEMBL15006756 0.85 PRKDC (0.86) PRKDC
SCHEMBL15006749 0.85 PRKDC (0.86) PRKDC
SCHEMBL249922 0.85 PRKDC (0.86) PRKDC
SCHEMBL15006697 0.83 PRKDC (0.75) PRKDC
SCHEMBL249277 0.82 PRKDC (0.64) 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
WO-2018064092-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-04-05 WO disclosed