SCHEMBL20081826

SCHEMBL20081826

NOc1cc(ON)cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.83
▸ ATRIP Q8WXE1 20/20 0.83

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
SCHEMBL20082129 0.93 ATR (0.83) ATRATRIP
SCHEMBL20082127 0.92 ATR (0.84) ATRATRIP
SCHEMBL18109972 0.91 ATR (1.00) ATRATRIP
SCHEMBL20081984 0.86 ATR (0.84) ATRATRIP
SCHEMBL20081829 0.86 ATR (0.82) ATRATRIP
SCHEMBL17501430 0.86 ATR (1.00) ATRATRIP
SCHEMBL18109965 0.86 ATR (1.00) ATRATRIP
SCHEMBL17501448 0.85 ATR (1.00) ATRATRIP
SCHEMBL30140463 0.85 ATR (1.00) ATRATRIP
SCHEMBL18109970 0.85 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
EP-3177619-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2018-04-25 — — EP disclosed
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