SCHEMBL20482468

SCHEMBL20482468

CCOc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1.Cc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)s1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.85
▸ ATRIP Q8WXE1 19/20 0.85

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
SCHEMBL17501626 0.93 ATR (1.00) ATRATRIP
SCHEMBL20482348 0.89 ATR (0.68) ATRATRIP
SCHEMBL17501503 0.88 ATR (1.00) ATRATRIP
SCHEMBL29395581 0.84 ATR (1.00) ATRATRIP
SCHEMBL17501274 0.84 ATR (1.00) ATRATRIP
SCHEMBL17501595 0.82 ATR (1.00) ATRATRIP
SCHEMBL17501616 0.82 ATR (1.00) ATRATRIP
SCHEMBL30140463 0.82 ATR (1.00) ATRATRIP
SCHEMBL18109965 0.81 ATR (1.00) ATRATRIP
SCHEMBL17501382 0.80 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
WO-2018153971-A1 COMBINATION OF ATR KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO claimed
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
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