SCHEMBL20082170

SCHEMBL20082170

Cc1ccc(N)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12

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
SCHEMBL30140423 0.91 ATR (1.00) ATRATRIP
SCHEMBL18110025 0.91 ATR (1.00) ATRATRIP
SCHEMBL30140422 0.88 ATR (1.00) ATRATRIP
SCHEMBL17501237 0.88 ATR (1.00) ATRATRIP
SCHEMBL17501555 0.87 ATR (1.00) ATRATRIP
SCHEMBL30140547 0.87 ATR (1.00) ATRATRIP
SCHEMBL20081829 0.87 ATR (0.82) ATRATRIP
SCHEMBL18110019 0.85 ATR (1.00) ATRATRIP
SCHEMBL19196005 0.84 ATR (1.00) ATRATRIP
SCHEMBL23837798 0.84 ATR (0.88) 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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