SCHEMBL1014354

SCHEMBL1014354

O=C(C=CCCN1CCOCC1)N1CCc2c(sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)C1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.68
ERBB2 P04626 5/20 0.56
KCNH2 Q12809 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
SCHEMBL1014353 1.00 EGFR (0.68) EGFRERBB2KCNH2
SCHEMBL1017264 0.94 EGFR (0.70) EGFRERBB2
SCHEMBL1017265 0.94 EGFR (0.70) EGFRERBB2
SCHEMBL1014117 0.94 EGFR (0.70) EGFRERBB2
SCHEMBL1014116 0.94 EGFR (0.70) EGFRERBB2
SCHEMBL1016217 0.94 EGFR (0.70) EGFRERBB2KCNH2
SCHEMBL1016216 0.94 EGFR (0.70) EGFRERBB2KCNH2
SCHEMBL1014431 0.91 EGFR (0.74) EGFRERBB2
SCHEMBL1016342 0.91 EGFR (0.74) EGFRERBB2
SCHEMBL12955274 0.89 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