SCHEMBL2474804

SCHEMBL2474804

CN(C)CCCOc1cnc(-c2cccc(Cn3nc(OC(N)=O)ccc3=O)c2)nc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 20/20 0.68
▸ NQO2 P16083 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL2477702 0.94 MET (0.64) METNQO2
SCHEMBL1317047 0.88 MET (0.70) METNQO2
SCHEMBL3084073 0.85 MET (0.80) METNQO2
SCHEMBL3079001 0.84 MET (0.67) METNQO2
SCHEMBL13152907 0.84 MET (0.67) METNQO2
SCHEMBL1581596 0.83 MET (0.73) METNQO2
SCHEMBL3089413 0.83 MET (0.85) METNQO2
Trifluoroacetic Acid SCHEMBL1320908 0.83 MET (0.65) METNQO2
Formic Acid SCHEMBL3100988 0.81 MET (0.68) METNQO2
SCHEMBL3087171 0.81 MET (1.00) METNQO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373644-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 — — EP claimed
EP-2373644-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 — — EP disclosed
EP-2373644-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2011-10-12 — — EP disclosed
WO-2010078910-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-15 — — WO disclosed
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