SCHEMBL16224927

SCHEMBL16224927

C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccc5nn[nH]c5c4)c3cc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.73
USP1 O94782 1/20 0.34

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
SCHEMBL17555401 0.85 MAPK1 (1.00) MAPK1
SCHEMBL16224842 0.85 MAPK1 (1.00) MAPK1
SCHEMBL20560434 0.82 MAPK1 (1.00) MAPK1
SCHEMBL16224846 0.82 MAPK1 (1.00) MAPK1
Trifluoroacetic Acid SCHEMBL16213585 0.80 MAPK1 (0.89) MAPK1
Trifluoroacetic Acid SCHEMBL16213581 0.80 MAPK1 (0.89) MAPK1
SCHEMBL17555411 0.79 MAPK1 (0.69) MAPK1USP1
SCHEMBL16224849 0.79 MAPK1 (0.69) MAPK1USP1
SCHEMBL22382060 0.73 MAPK1 (1.00) MAPK1
Trifluoroacetic Acid SCHEMBL16213533 0.72 MAPK1 (0.66) MAPK1USP1

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
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 WO disclosed