SCHEMBL1016842

SCHEMBL1016842

O=C(C=CCN1CCOCC1)N1CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.71
ERBB2 P04626 1/20 0.54
MKNK1 Q9BUB5 3/20 0.51

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
SCHEMBL1016841 1.00 EGFR (0.71) EGFRERBB2MKNK1
SCHEMBL1016942 0.93 EGFR (0.66) EGFRERBB2MKNK1
SCHEMBL1016944 0.93 EGFR (0.66) EGFRERBB2MKNK1
SCHEMBL1016149 0.93 EGFR (0.65) EGFRERBB2MKNK1
SCHEMBL1016152 0.93 EGFR (0.65) EGFRERBB2MKNK1
SCHEMBL18355001 0.90 EGFR (0.62) EGFRMKNK1
SCHEMBL1016306 0.89 EGFR (0.69) EGFRERBB2MKNK1
SCHEMBL1016307 0.89 EGFR (0.69) EGFRERBB2MKNK1
SCHEMBL1015625 0.87 EGFR (0.88) EGFR
SCHEMBL1015624 0.87 EGFR (0.88) 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