SCHEMBL1016008

SCHEMBL1016008

CC(C)N(C)CC=CC(=O)N1CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.69
MKNK1 Q9BUB5 1/20 0.52

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
SCHEMBL1016006 1.00 EGFR (0.69) EGFRMKNK1
SCHEMBL1015462 0.93 EGFR (0.60) EGFRMKNK1
SCHEMBL1015463 0.93 EGFR (0.60) EGFRMKNK1
SCHEMBL1015727 0.93 EGFR (0.67) EGFRMKNK1
SCHEMBL1015726 0.93 EGFR (0.67) EGFRMKNK1
SCHEMBL940104 0.92 EGFR (0.70) EGFRMKNK1
SCHEMBL940102 0.92 EGFR (0.70) EGFRMKNK1
SCHEMBL1017392 0.91 EGFR (0.60) EGFRMKNK1
SCHEMBL1017393 0.91 EGFR (0.60) EGFRMKNK1
SCHEMBL1019667 0.91 EGFR (0.62) EGFRMKNK1

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