SCHEMBL1014117

SCHEMBL1014117

O=C(C=CCCN1CCCCC1)N1CCc2c(sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.70
ERBB2 P04626 6/20 0.53

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
SCHEMBL1014116 1.00 EGFR (0.70) EGFRERBB2
SCHEMBL1017265 0.99 EGFR (0.70) EGFRERBB2
SCHEMBL1017264 0.99 EGFR (0.70) EGFRERBB2
SCHEMBL1014353 0.94 EGFR (0.68) EGFRERBB2
SCHEMBL1014354 0.94 EGFR (0.68) EGFRERBB2
SCHEMBL1014152 0.94 EGFR (0.71) EGFRERBB2
SCHEMBL1014153 0.94 EGFR (0.71) EGFRERBB2
SCHEMBL1017036 0.94 EGFR (0.71) EGFRERBB2
SCHEMBL1017034 0.94 EGFR (0.71) EGFRERBB2
SCHEMBL1019461 0.93 EGFR (0.72) EGFRERBB2

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