SCHEMBL1020163

SCHEMBL1020163

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

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75

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
SCHEMBL1020161 1.00 EGFR (0.75) EGFR
SCHEMBL1017006 0.93 EGFR (0.78) EGFR
SCHEMBL1017007 0.93 EGFR (0.78) EGFR
SCHEMBL1016754 0.92 EGFR (0.89) EGFR
SCHEMBL1016755 0.92 EGFR (0.89) EGFR
SCHEMBL1016342 0.92 EGFR (0.74) EGFR
SCHEMBL1014431 0.92 EGFR (0.74) EGFR
SCHEMBL12955583 0.91 EGFR (0.74) EGFR
SCHEMBL1017590 0.91 EGFR (0.75) EGFR
SCHEMBL1017592 0.91 EGFR (0.75) 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