SCHEMBL1017041

SCHEMBL1017041

CCN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.68
ERBB2 P04626 4/20 0.49
MKNK1 Q9BUB5 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
SCHEMBL1017039 1.00 EGFR (0.68) EGFRERBB2MKNK1
SCHEMBL1016711 0.95 EGFR (0.67) EGFRERBB2MKNK1
SCHEMBL1016713 0.95 EGFR (0.67) EGFRERBB2MKNK1
SCHEMBL3616602 0.95 EGFR (0.70) EGFRERBB2MKNK1
SCHEMBL13037042 0.93 EGFR (0.59) EGFRERBB2
SCHEMBL1015556 0.92 EGFR (0.80) EGFRERBB2MKNK1
SCHEMBL1016382 0.92 EGFR (0.68) EGFRERBB2MKNK1
SCHEMBL1015558 0.92 EGFR (0.80) EGFRERBB2MKNK1
SCHEMBL1016383 0.92 EGFR (0.68) EGFRERBB2MKNK1
SCHEMBL13037039 0.92 EGFR (0.58) 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