SCHEMBL20482749

SCHEMBL20482749

COc1nccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1Cl.Clc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.84
▸ ATRIP Q8WXE1 19/20 0.84

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
SCHEMBL17501390 0.92 ATR (1.00) ATRATRIP
SCHEMBL30140466 0.92 ATR (1.00) ATRATRIP
SCHEMBL17501472 0.90 ATR (1.00) ATRATRIP
SCHEMBL30140409 0.90 ATR (1.00) ATRATRIP
SCHEMBL18110046 0.87 ATR (1.00) ATRATRIP
SCHEMBL30140488 0.84 ATR (1.00) ATRATRIP
SCHEMBL17501464 0.84 ATR (1.00) ATRATRIP
SCHEMBL23837775 0.83 ATR (0.82) ATRATRIP
SCHEMBL23837777 0.82 ATR (0.81) ATRATRIP
SCHEMBL17501460 0.82 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661560-A1 COMBINATION OF ATR KINASE INHIBITORS AND PD-1/PD-L1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-06-10 — — EP disclosed
WO-2019025440-A1 COMBINATION OF ATR KINASE INHIBITORS AND PD-1/PD-L1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO disclosed
WO-2018153971-A1 COMBINATION OF ATR KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO disclosed
WO-2018153973-A1 COMBINATION OF ATR KINASE INHIBITORS WITH PARP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO disclosed
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