SCHEMBL20482229

SCHEMBL20482229

COc1cccc(OC)c1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Nc1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.86
▸ ATRIP Q8WXE1 20/20 0.86

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
SCHEMBL17501391 0.93 ATR (1.00) ATRATRIP
SCHEMBL20082135 0.90 ATR (0.92) ATRATRIP
SCHEMBL17501578 0.90 ATR (1.00) ATRATRIP
SCHEMBL30140510 0.90 ATR (1.00) ATRATRIP
SCHEMBL17527548 0.89 ATR (1.00) ATRATRIP
SCHEMBL30140496 0.89 ATR (1.00) ATRATRIP
SCHEMBL30140438 0.88 ATR (1.00) ATRATRIP
SCHEMBL17501420 0.88 ATR (1.00) ATRATRIP
SCHEMBL18110038 0.87 ATR (1.00) ATRATRIP
SCHEMBL30140403 0.87 ATR (1.00) ATRATRIP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018153972-A1 COMBINATION OF ATR KINASE INHIBITORS AND ANTIANDROGENS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO disclosed
WO-2018153969-A1 COMBINATION OF ATR KINASE INHIBITORS WITH RADIUM-223 SALT BAYER AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO disclosed
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