SCHEMBL1017961

SCHEMBL1017961

O=C(C=CCN1CCCCC1)N1CCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.80

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
SCHEMBL1017958 1.00 EGFR (0.80) EGFR
SCHEMBL1016776 0.99 EGFR (0.81) EGFR
SCHEMBL1016777 0.99 EGFR (0.81) EGFR
SCHEMBL940664 0.98 EGFR (0.81) EGFR
SCHEMBL940662 0.98 EGFR (0.81) EGFR
SCHEMBL939502 0.94 EGFR (0.76) EGFR
SCHEMBL939503 0.94 EGFR (0.76) EGFR
SCHEMBL1018188 0.93 EGFR (0.87) EGFR
SCHEMBL1018190 0.93 EGFR (0.87) EGFR
SCHEMBL938078 0.93 EGFR (0.93) 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