SCHEMBL16965538

SCHEMBL16965538

COc1nn(-c2ccncc2)c2cc(NC(=O)NC(C)c3ccccc3)nc(CO)c12

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.61

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
SCHEMBL16964781 0.81 MAPK1 (0.62) MAPK1
SCHEMBL16964779 0.81 MAPK1 (0.62) MAPK1
SCHEMBL16965588 0.76 MAPK1 (1.00) MAPK1
SCHEMBL16965587 0.76 MAPK1 (1.00) MAPK1
SCHEMBL16830056 0.75 MAPK1 (0.58) MAPK1
SCHEMBL16830054 0.75 MAPK1 (0.58) MAPK1
SCHEMBL16965014 0.75 MAPK1 (0.56) MAPK1
SCHEMBL16965016 0.75 MAPK1 (0.56) MAPK1
SCHEMBL16965013 0.75 MAPK1 (0.56) MAPK1
SCHEMBL16965443 0.73 MAPK1 (0.61) MAPK1

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-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 — — EP disclosed
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