SCHEMBL20482895

SCHEMBL20482895

Fc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1.Fc1ncccc1-c1cc(N2CCOCC2)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
SCHEMBL17501484 0.93 ATR (1.00) ATRATRIP
SCHEMBL17501635 0.92 ATR (1.00) ATRATRIP
SCHEMBL17501209 0.85 ATR (1.00) ATRATRIP
SCHEMBL18109965 0.85 ATR (1.00) ATRATRIP
SCHEMBL17501616 0.84 ATR (1.00) ATRATRIP
SCHEMBL23837809 0.83 ATR (0.83) ATRATRIP
SCHEMBL30140481 0.83 ATR (0.86) ATRATRIP
SCHEMBL17501487 0.83 ATR (1.00) ATRATRIP
SCHEMBL17501324 0.83 ATR (0.86) ATRATRIP
SCHEMBL23837808 0.83 ATR (0.80) 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-2018153969-A1 COMBINATION OF ATR KINASE INHIBITORS WITH RADIUM-223 SALT BAYER AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO disclosed
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