SCHEMBL16964868

SCHEMBL16964868

COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(CCO)c12

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.88

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
SCHEMBL16965588 0.93 MAPK1 (1.00) MAPK1
SCHEMBL16965587 0.93 MAPK1 (1.00) MAPK1
SCHEMBL19467627 0.92 MAPK1 (0.83) MAPK1
SCHEMBL16965414 0.90 MAPK1 (1.00) MAPK1
SCHEMBL16965417 0.90 MAPK1 (1.00) MAPK1
SCHEMBL17076343 0.89 MAPK1 (1.00) MAPK1
SCHEMBL17076030 0.89 MAPK1 (1.00) MAPK1
SCHEMBL19493885 0.89 MAPK1 (1.00) MAPK1
SCHEMBL19494207 0.88 MAPK1 (1.00) MAPK1
SCHEMBL17076135 0.88 MAPK1 (1.00) 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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