SCHEMBL1016977

SCHEMBL1016977

CN(CC=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1)C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69

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
SCHEMBL1016976 1.00 EGFR (0.69) EGFR
SCHEMBL1015735 0.94 EGFR (0.73) EGFR
SCHEMBL1015734 0.94 EGFR (0.73) EGFR
SCHEMBL939847 0.94 EGFR (0.68) EGFR
SCHEMBL939848 0.94 EGFR (0.68) EGFR
SCHEMBL1013292 0.92 EGFR (0.65) EGFR
SCHEMBL1013295 0.92 EGFR (0.65) EGFR
SCHEMBL1016926 0.90 EGFR (0.76) EGFR
SCHEMBL1020099 0.90 EGFR (0.76) EGFR
SCHEMBL1016032 0.89 EGFR (0.82) 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