SCHEMBL1016332

SCHEMBL1016332

O=C(C=CCN1CCCC1)N1CCc2c(sc3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)C1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 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
SCHEMBL1016331 1.00 EGFR (0.65) EGFR
SCHEMBL1017405 0.99 EGFR (0.64) EGFR
SCHEMBL1017406 0.99 EGFR (0.64) EGFR
SCHEMBL1015527 0.94 EGFR (0.70) EGFR
SCHEMBL1015526 0.94 EGFR (0.70) EGFR
SCHEMBL1019462 0.92 EGFR (0.72) EGFR
SCHEMBL1019461 0.92 EGFR (0.72) EGFR
SCHEMBL1014153 0.91 EGFR (0.71) EGFR
SCHEMBL1017036 0.91 EGFR (0.71) EGFR
SCHEMBL1014152 0.91 EGFR (0.71) 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