SCHEMBL1016328

SCHEMBL1016328

CN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(Br)cc4)c23)C1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.71
MKNK1 Q9BUB5 2/20 0.65

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
SCHEMBL1016327 1.00 EGFR (0.71) EGFRMKNK1
SCHEMBL1017546 0.92 EGFR (0.71) EGFR
SCHEMBL1019386 0.92 EGFR (0.71) EGFRMKNK1
SCHEMBL1019387 0.92 EGFR (0.71) EGFRMKNK1
SCHEMBL1017547 0.92 EGFR (0.71) EGFR
SCHEMBL1016703 0.92 EGFR (0.77) EGFR
SCHEMBL1016704 0.92 EGFR (0.77) EGFR
SCHEMBL1015727 0.91 EGFR (0.67) EGFRMKNK1
SCHEMBL1015726 0.91 EGFR (0.67) EGFRMKNK1
SCHEMBL1017812 0.89 EGFR (0.72) EGFR

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-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed