SCHEMBL20081902

SCHEMBL20081902

Cc1cc(S(C)(=O)=O)ncc1-c1cc(N2CCOCC2C)nc2c(-c3ccnn3C3CCCCO3)nccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 1.00

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
SCHEMBL17501330 1.00 ATR (1.00) ATR
SCHEMBL29395627 0.90 ATR (1.00) ATR
SCHEMBL17501037 0.90 ATR (1.00) ATR
SCHEMBL29399035 0.90 ATR (1.00) ATR
SCHEMBL17527384 0.90 ATR (1.00) ATR
SCHEMBL20082010 0.90 ATR (1.00) ATR
SCHEMBL17501041 0.86 ATR (1.00) ATR
SCHEMBL17501243 0.86 ATR (1.00) ATR
SCHEMBL17527148 0.85 ATR (0.90) ATR
SCHEMBL17501293 0.85 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-3177619-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2018-04-25 — — EP disclosed
Send feedback