SCHEMBL1017592

SCHEMBL1017592

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

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 2/20 0.49
KCNH2 Q12809 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
SCHEMBL1017590 1.00 EGFR (0.75) EGFRERBB2KCNH2
SCHEMBL1017007 0.93 EGFR (0.78) EGFRERBB2
SCHEMBL1017006 0.93 EGFR (0.78) EGFRERBB2
SCHEMBL12955498 0.92 EGFR (0.65) EGFRERBB2KCNH2
SCHEMBL1018828 0.92 EGFR (0.78) EGFRERBB2
SCHEMBL1018830 0.92 EGFR (0.78) EGFRERBB2
SCHEMBL1018030 0.92 EGFR (0.78) EGFRERBB2
SCHEMBL1018028 0.92 EGFR (0.78) EGFRERBB2
SCHEMBL1016754 0.91 EGFR (0.89) EGFRERBB2
SCHEMBL1016755 0.91 EGFR (0.89) 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