SCHEMBL2467213

SCHEMBL2467213

CNCc1ccc(-c2nnc(-c3nc(C4CCN(CCC=O)CC4)cnc3N)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.58

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
SCHEMBL617486 0.82 ATR (0.56) ATR
SCHEMBL2489811 0.75 ATR (0.54) ATR
SCHEMBL20433675 0.74 ATR (0.61) ATR
SCHEMBL10228653 0.73 ATR (1.00) ATR
SCHEMBL2486688 0.73 ATR (0.60) ATR
SCHEMBL19672783 0.73 ATR (0.70) ATR
SCHEMBL10289491 0.73 ATR (0.59) ATR
SCHEMBL615735 0.73 ATR (0.53) ATR
SCHEMBL616191 0.73 ATR (0.53) ATR
SCHEMBL10289660 0.73 ATR (0.53) ATR

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-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 EP disclosed