SCHEMBL20082154

SCHEMBL20082154

Cc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc(N)c1N

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.82
▸ ATRIP Q8WXE1 20/20 0.82

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
SCHEMBL19194176 0.90 ATR (1.00) ATRATRIP
SCHEMBL18109961 0.88 ATR (1.00) ATRATRIP
SCHEMBL20081829 0.85 ATR (0.82) ATRATRIP
SCHEMBL17501192 0.85 ATR (0.82) ATRATRIP
Ammonia Solution, Strong SCHEMBL28724394 0.85 ATR (0.82) ATRATRIP
SCHEMBL29398980 0.84 ATR (1.00) ATRATRIP
SCHEMBL17527642 0.84 ATR (1.00) ATRATRIP
SCHEMBL17501538 0.84 ATR (1.00) ATRATRIP
SCHEMBL20082170 0.84 ATR (0.83) ATRATRIP
SCHEMBL17501430 0.83 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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