SCHEMBL13345784

SCHEMBL13345784

Bc1cccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.82

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
SCHEMBL13138056 0.90 ATR (0.85) ATR
SCHEMBL13138239 0.90 ATR (1.00) ATR
SCHEMBL3052735 0.90 ATR (0.84) ATR
SCHEMBL13138008 0.90 ATR (1.00) ATR
SCHEMBL2511649 0.89 ATR (1.00) ATR
SCHEMBL2511882 0.87 ATR (0.86) ATR
SCHEMBL13138183 0.87 ATR (1.00) ATR
SCHEMBL2481966 0.87 ATR (1.00) ATR
SCHEMBL13138259 0.86 ATR (1.00) ATR
SCHEMBL2487653 0.86 ATR (0.78) 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
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 WO disclosed