SCHEMBL23837714

SCHEMBL23837714

CC[S+]([O-])c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.76

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
SCHEMBL20081737 0.90 ATR (0.76) ATR
SCHEMBL17501320 0.87 ATR (0.87) ATR
SCHEMBL17501033 0.87 ATR (1.00) ATR
SCHEMBL17501452 0.86 ATR (1.00) ATR
SCHEMBL17501207 0.86 ATR (1.00) ATR
SCHEMBL17527638 0.86 ATR (1.00) ATR
SCHEMBL20081827 0.86 ATR (0.84) ATR
SCHEMBL20081736 0.85 ATR (0.75) ATR
SCHEMBL17527603 0.84 ATR (1.00) ATR
SCHEMBL17501060 0.84 ATR (1.00) ATR

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-3395818-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2021-09-22 — — EP disclosed
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