SCHEMBL20082009

SCHEMBL20082009

COc1ncc(C)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 19/20 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
SCHEMBL18110046 0.91 ATR (1.00) ATRATRIP
SCHEMBL22420266 0.89 ATR (1.00) ATRATRIP
SCHEMBL17501392 0.88 ATR (1.00) ATRATRIP
SCHEMBL30140476 0.88 ATR (1.00) ATRATRIP
SCHEMBL23837775 0.88 ATR (0.82) ATRATRIP
SCHEMBL30140472 0.88 ATR (1.00) ATRATRIP
SCHEMBL17501560 0.88 ATR (1.00) ATRATRIP
SCHEMBL18110009 0.88 ATR (1.00) ATRATRIP
SCHEMBL23837829 0.88 ATR (0.83) ATRATRIP
SCHEMBL20082072 0.88 ATR (0.86) 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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