SCHEMBL1014309

SCHEMBL1014309

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

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62

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
SCHEMBL1014308 1.00 EGFR (0.62) EGFR
SCHEMBL1016950 0.94 EGFR (0.65) EGFR
SCHEMBL1016949 0.94 EGFR (0.65) EGFR
SCHEMBL1015683 0.94 EGFR (0.64) EGFR
SCHEMBL1015685 0.94 EGFR (0.64) EGFR
SCHEMBL3620439 0.94 EGFR (0.61) EGFR
SCHEMBL1016525 0.93 EGFR (0.63) EGFR
SCHEMBL1016523 0.93 EGFR (0.63) EGFR
SCHEMBL1068057 0.92 EGFR (0.62) EGFR
SCHEMBL1068058 0.92 EGFR (0.62) 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