SCHEMBL20482887

SCHEMBL20482887

Nc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1.c1cc(-c2nccc3c(-c4cc[nH]n4)cc(N4CCOCC4)nc23)[nH]n1

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
SCHEMBL30140463 0.92 ATR (1.00) ATRATRIP
SCHEMBL17501595 0.92 ATR (1.00) ATRATRIP
SCHEMBL17501506 0.90 ATR (0.78) ATRATRIP
SCHEMBL18109965 0.84 ATR (1.00) ATRATRIP
SCHEMBL23837790 0.83 ATR (0.84) ATRATRIP
SCHEMBL30140481 0.82 ATR (0.86) ATRATRIP
SCHEMBL17501324 0.82 ATR (0.86) ATRATRIP
SCHEMBL20081829 0.82 ATR (0.82) ATRATRIP
SCHEMBL17501441 0.82 ATR (1.00) ATRATRIP
SCHEMBL17501484 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 3 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
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