SCHEMBL20482660

SCHEMBL20482660

COc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)ccn1.COc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.Cc1cncc(-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
SCHEMBL20482280 0.96 ATR (0.92) ATRATRIP
SCHEMBL30140488 0.92 ATR (1.00) ATRATRIP
SCHEMBL17501464 0.92 ATR (1.00) ATRATRIP
SCHEMBL30140570 0.89 ATR (1.00) ATRATRIP
SCHEMBL17501222 0.89 ATR (1.00) ATRATRIP
SCHEMBL29397974 0.89 ATR (1.00) ATRATRIP
SCHEMBL17501460 0.89 ATR (1.00) ATRATRIP
SCHEMBL18109972 0.84 ATR (1.00) ATRATRIP
SCHEMBL18110012 0.83 ATR (1.00) ATRATRIP
SCHEMBL18109970 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 1 patent. 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 disclosed
Send feedback