SCHEMBL20432987

SCHEMBL20432987

CNCc1ccc(-c2nnc(-c3nc(-c4ccc(SC(C)CCO)c(F)c4)cnc3N)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.57

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
SCHEMBL20433030 0.92 ATR (0.52) ATR
SCHEMBL20433474 0.92 ATR (0.57) ATR
SCHEMBL20433721 0.86 ATR (0.54) ATR
SCHEMBL3055543 0.83 ATR (0.57) ATR
SCHEMBL19672728 0.79 ATR (0.67) ATR
SCHEMBL19672717 0.79 ATR (0.58) ATR
SCHEMBL13138313 0.78 ATR (0.62) ATR
SCHEMBL20433476 0.78 ATR (0.57) ATR
SCHEMBL16424854 0.78 ATR (0.62) ATR
SCHEMBL16424866 0.78 ATR (0.59) 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-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 — — EP disclosed
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