SCHEMBL20082010

SCHEMBL20082010

Cc1nc(S(C)(=O)=O)ccc1-c1cc(N2CCOCC2C)nc2c(-c3ccnn3C3CCCCO3)nccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 1.00
▸ ATRIP Q8WXE1 1/20 0.70

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
SCHEMBL17527384 1.00 ATR (1.00) ATRATRIP
SCHEMBL29399035 1.00 ATR (1.00) ATRATRIP
SCHEMBL17527148 0.94 ATR (0.90) ATR
SCHEMBL17501330 0.90 ATR (1.00) ATR
SCHEMBL20081902 0.90 ATR (1.00) ATR
SCHEMBL20081775 0.88 ATR (1.00) ATRATRIP
SCHEMBL17527634 0.88 ATR (1.00) ATRATRIP
SCHEMBL29398792 0.88 ATR (1.00) ATRATRIP
SCHEMBL20081933 0.87 ATR (0.78) ATRATRIP
SCHEMBL17501279 0.87 ATR (0.90) 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 2 patents. 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
EP-3177619-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2018-04-25 — — EP disclosed
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