SCHEMBL1017385

SCHEMBL1017385

CCN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78

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
SCHEMBL1017383 1.00 EGFR (0.78) EGFR
SCHEMBL1015710 0.94 EGFR (0.83) EGFR
SCHEMBL1015709 0.94 EGFR (0.83) EGFR
SCHEMBL1082699 0.94 EGFR (0.73) EGFR
SCHEMBL1016643 0.94 EGFR (0.87) EGFR
SCHEMBL1082697 0.94 EGFR (0.73) EGFR
SCHEMBL1014184 0.94 EGFR (0.87) EGFR
SCHEMBL938520 0.93 EGFR (0.78) EGFR
SCHEMBL938521 0.93 EGFR (0.78) EGFR
SCHEMBL12909109 0.92 EGFR (0.75) 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