SCHEMBL20433252

SCHEMBL20433252

CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(SC5CCOCC5)cc4)cnc3N)o2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.46
▸ ATM Q13315 1/20 0.39

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
SCHEMBL19672651 0.96 ATR (0.47) ATRATM
SCHEMBL20433529 0.91 ATR (0.53) ATRATM
SCHEMBL19672616 0.88 ATR (0.46) ATRATM
SCHEMBL19672655 0.88 ATR (0.47) ATR
SCHEMBL20433577 0.87 ATR (0.52) ATR
SCHEMBL19672692 0.86 ATR (0.51) ATRATM
SCHEMBL20433548 0.86 ATR (0.58) ATR
SCHEMBL29458652 0.86 ATR (0.47) ATRATM
SCHEMBL3052935 0.86 ATR (0.47) ATRATM
SCHEMBL19672752 0.85 ATR (0.47) ATRATM

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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