SCHEMBL16093103

SCHEMBL16093103

CC(NC(=O)OC(C)(C)C)c1ccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.73

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
SCHEMBL16093124 0.85 ATR (0.66) ATR
SCHEMBL16070011 0.85 ATR (1.00) ATR
SCHEMBL3059569 0.81 ATR (0.82) ATR
SCHEMBL2511199 0.80 ATR (0.84) ATR
SCHEMBL2513711 0.80 ATR (1.00) ATR
SCHEMBL13138014 0.80 ATR (0.84) ATR
SCHEMBL3052735 0.80 ATR (0.84) ATR
SCHEMBL2482502 0.80 ATR (1.00) ATR
SCHEMBL13138106 0.79 ATR (1.00) ATR
SCHEMBL13137961 0.79 ATR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841308-B2 Pyrazin-2-amines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
US-8841308-B2 Pyrazin-2-amines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
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