SCHEMBL1013640

SCHEMBL1013640

O=C(C=CCN1CCOCC1)N1CCc2c(sc3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c23)C1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.66
MKNK1 Q9BUB5 5/20 0.48

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
SCHEMBL1013639 1.00 EGFR (0.66) EGFRMKNK1
SCHEMBL1015800 0.94 EGFR (0.61) EGFRMKNK1
SCHEMBL1015801 0.94 EGFR (0.61) EGFRMKNK1
SCHEMBL1015258 0.93 EGFR (0.65) EGFRMKNK1
SCHEMBL1015256 0.93 EGFR (0.65) EGFRMKNK1
SCHEMBL1016540 0.92 EGFR (0.62) EGFR
SCHEMBL1016539 0.92 EGFR (0.62) EGFR
SCHEMBL12955269 0.90 EGFR (0.57) EGFRMKNK1
SCHEMBL1015722 0.89 EGFR (0.66) EGFRMKNK1
SCHEMBL1015721 0.89 EGFR (0.66) EGFRMKNK1

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