SCHEMBL20082129

SCHEMBL20082129

NOc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.83
▸ ATRIP Q8WXE1 20/20 0.83
▸ KCNH2 Q12809 1/20 0.72

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
SCHEMBL20081826 0.93 ATR (0.83) ATRATRIP
SCHEMBL18109970 0.91 ATR (1.00) ATRATRIPKCNH2
SCHEMBL20082127 0.90 ATR (0.84) ATRATRIP
SCHEMBL20081829 0.90 ATR (0.82) ATRATRIPKCNH2
SCHEMBL30140462 0.88 ATR (1.00) ATRATRIP
SCHEMBL18109985 0.88 ATR (1.00) ATRATRIPKCNH2
SCHEMBL17527663 0.88 ATR (1.00) ATRATRIP
SCHEMBL20081925 0.88 ATR (0.82) ATRATRIPKCNH2
SCHEMBL17501192 0.88 ATR (0.82) ATRATRIPKCNH2
SCHEMBL17501625 0.88 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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