SCHEMBL20433736

SCHEMBL20433736

CON(c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)CF)cc4F)o3)n2)cc1)C1CCOC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.47

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
SCHEMBL20433746 0.92 ATR (0.49) ATR
SCHEMBL20433745 0.90 ATR (0.47) ATR
SCHEMBL19672651 0.84 ATR (0.47) ATR
SCHEMBL20433585 0.83 ATR (0.46) ATR
SCHEMBL3059651 0.83 ATR (0.47) ATR
SCHEMBL29458705 0.83 ATR (0.47) ATR
SCHEMBL20433252 0.82 ATR (0.46) ATR
SCHEMBL20433015 0.81 ATR (0.55) ATR
SCHEMBL29458652 0.81 ATR (0.47) ATR
SCHEMBL3052935 0.81 ATR (0.47) 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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