SCHEMBL20433745

SCHEMBL20433745

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

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.47
▸ ATM Q13315 1/20 0.36

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
SCHEMBL20433566 0.92 ATR (0.49) ATR
SCHEMBL20433736 0.90 ATR (0.47) ATR
SCHEMBL20433242 0.84 ATR (0.47) ATRATM
SCHEMBL3052963 0.83 ATR (0.49) ATRATM
SCHEMBL20433394 0.81 ATR (0.51) ATR
SCHEMBL3062371 0.81 ATR (0.51) ATRATM
SCHEMBL19672732 0.81 ATR (0.46) ATRATM
SCHEMBL20433746 0.81 ATR (0.49) ATR
SCHEMBL19672649 0.79 ATR (0.62) ATR
SCHEMBL3048919 0.77 ATR (0.66) 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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