SCHEMBL1017542

SCHEMBL1017542

O=C(C=CCN1CCOCC1)N1CCc2c(sc3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
ERBB2 P04626 1/20 0.49

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
SCHEMBL1017540 1.00 EGFR (0.69) EGFRERBB2
SCHEMBL12955274 0.94 EGFR (0.61) EGFRERBB2
SCHEMBL1015364 0.94 EGFR (0.63) EGFRERBB2
SCHEMBL1015363 0.94 EGFR (0.63) EGFRERBB2
SCHEMBL1015527 0.91 EGFR (0.70) EGFR
SCHEMBL1015526 0.91 EGFR (0.70) EGFR
SCHEMBL1016877 0.90 EGFR (0.72) EGFRERBB2
SCHEMBL1016878 0.90 EGFR (0.72) EGFRERBB2
SCHEMBL12955599 0.90 EGFR (0.60) EGFR
SCHEMBL1016217 0.89 EGFR (0.70) 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