SCHEMBL20433170

SCHEMBL20433170

Cc1ncc(-c2ccc(SC(C)C)cc2)nc1C(=N)OC(=N)c1ccc(CNCC(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.46

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
SCHEMBL24681817 0.74 ATR (0.63) ATR
SCHEMBL13347142 0.72 ATR (0.54) ATR
SCHEMBL20433148 0.72 ATR (0.51) ATR
SCHEMBL24681790 0.71 ATR (0.58) ATR
SCHEMBL13138043 0.63 ATR (0.81) ATR
SCHEMBL13138223 0.63 ATR (1.00) ATR
SCHEMBL20433179 0.62 ATR (0.58) ATR
SCHEMBL24248192 0.61 ATR (0.57) ATR
SCHEMBL20433209 0.61 ATR (0.47) ATR
SCHEMBL19672802 0.60 ATR (0.60) 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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