SCHEMBL1016944

SCHEMBL1016944

O=C(C=CCN1CCCC1)N1CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.66
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
SRC P12931 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
MKNK1 Q9BUB5 3/20 0.53
ERBB2 P04626 1/20 0.52

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
SCHEMBL1016942 1.00 EGFR (0.66) EGFRPDGFRBKITSRCFLT1
SCHEMBL1016149 0.99 EGFR (0.65) EGFRPDGFRBKITSRCFLT1
SCHEMBL1016152 0.99 EGFR (0.65) EGFRPDGFRBKITSRCFLT1
SCHEMBL1016841 0.93 EGFR (0.71) EGFRMKNK1ERBB2
SCHEMBL1016842 0.93 EGFR (0.71) EGFRMKNK1ERBB2
SCHEMBL18355001 0.92 EGFR (0.62) EGFRMKNK1
SCHEMBL12955496 0.91 EGFR (0.66) EGFRMKNK1
SCHEMBL1017587 0.89 EGFR (0.63) EGFRMKNK1ERBB2
SCHEMBL12955268 0.89 EGFR (0.75) EGFRMKNK1
SCHEMBL1017589 0.89 EGFR (0.63) EGFRMKNK1ERBB2

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