SCHEMBL20482247

SCHEMBL20482247

CN(C)C(=O)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccncc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.O=C(NC1CC1)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.72
▸ ATRIP Q8WXE1 20/20 0.72

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
SCHEMBL20482406 0.95 ATR (0.65) ATRATRIP
SCHEMBL17501580 0.95 ATR (0.81) ATRATRIP
SCHEMBL20482508 0.86 ATR (0.75) ATRATRIP
SCHEMBL17527543 0.85 ATR (1.00) ATRATRIP
SCHEMBL30140516 0.85 ATR (1.00) ATRATRIP
SCHEMBL18110036 0.83 ATR (1.00) ATRATRIP
SCHEMBL18109996 0.80 ATR (1.00) ATRATRIP
SCHEMBL17501610 0.80 ATR (0.93) ATRATRIP
SCHEMBL18109971 0.79 ATR (1.00) ATRATRIP
SCHEMBL30140547 0.79 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 claimed
WO-2019025440-A1 COMBINATION OF ATR KINASE INHIBITORS AND PD-1/PD-L1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO claimed
WO-2018153972-A1 COMBINATION OF ATR KINASE INHIBITORS AND ANTIANDROGENS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO claimed
WO-2018153969-A1 COMBINATION OF ATR KINASE INHIBITORS WITH RADIUM-223 SALT BAYER AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO claimed
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