SCHEMBL23837833

SCHEMBL23837833

CC(C)(N)OC(=O)CCCCNc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.59
▸ ATRIP Q8WXE1 20/20 0.59

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
SCHEMBL18402619 0.94 ATR (0.61) ATRATRIP
SCHEMBL20081815 0.81 ATR (0.66) ATRATRIP
SCHEMBL20081817 0.81 ATR (0.70) ATRATRIP
SCHEMBL20082186 0.77 ATR (0.68) ATRATRIP
SCHEMBL17501502 0.75 ATR (1.00) ATRATRIP
SCHEMBL17501381 0.75 ATR (1.00) ATRATRIP
SCHEMBL20082104 0.74 ATR (0.92) ATRATRIP
SCHEMBL20082188 0.74 ATR (0.75) ATRATRIP
SCHEMBL17501078 0.74 ATR (1.00) ATRATRIP
SCHEMBL17501638 0.73 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-3395818-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2021-09-22 — — EP disclosed
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