SCHEMBL20482187

SCHEMBL20482187

C[C@@H]1COCCN1c1cc(-c2ccnc3[nH]ccc23)c2ccnc(-c3ccn[nH]3)c2n1.Cc1sccc1-c1cc(N2CCOC[C@H]2C)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
SCHEMBL17501535 0.93 ATR (1.00) ATRATRIP
SCHEMBL20081919 0.93 ATR (1.00) ATRATRIP
SCHEMBL17501205 0.92 ATR (1.00) ATRATRIP
SCHEMBL20081892 0.92 ATR (1.00) ATRATRIP
SCHEMBL17501316 0.83 ATR (1.00) ATRATRIP
SCHEMBL20081968 0.82 ATR (1.00) ATRATRIP
SCHEMBL17501453 0.82 ATR (1.00) ATRATRIP
SCHEMBL17501562 0.81 ATR (1.00) ATRATRIP
SCHEMBL17501387 0.81 ATR (1.00) ATRATRIP
SCHEMBL17527537 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018153973-A1 COMBINATION OF ATR KINASE INHIBITORS WITH PARP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO claimed
WO-2018153972-A1 COMBINATION OF ATR KINASE INHIBITORS AND ANTIANDROGENS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO claimed
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