SCHEMBL1019740

SCHEMBL1019740

CN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c23)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 2/20 0.56
JAK3 P52333 2/20 0.56
ERBB4 Q15303 2/20 0.56

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
SCHEMBL1019739 1.00 EGFR (0.62) EGFRERBB2JAK3ERBB4
SCHEMBL13037042 0.94 EGFR (0.59) EGFRERBB2JAK3ERBB4
SCHEMBL1020256 0.94 EGFR (0.69) EGFRERBB2JAK3ERBB4
SCHEMBL1020258 0.94 EGFR (0.69) EGFRERBB2JAK3ERBB4
SCHEMBL1016648 0.94 EGFR (0.64) EGFRERBB2JAK3ERBB4
SCHEMBL1016649 0.94 EGFR (0.64) EGFRERBB2JAK3ERBB4
SCHEMBL1017734 0.94 EGFR (0.60) EGFRERBB2JAK3ERBB4
SCHEMBL1017735 0.94 EGFR (0.60) EGFRERBB2JAK3ERBB4
SCHEMBL3616602 0.93 EGFR (0.70) EGFRERBB2
SCHEMBL1015945 0.92 EGFR (0.61) 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