SCHEMBL5570073

SCHEMBL5570073

CC(Oc1cccc2ncnc(Nc3ccc(Oc4cccnc4)c(F)c3)c12)C(=O)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.72
KCNH2 Q12809 5/20 0.62
EGFR P00533 3/20 0.58
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL5635741 1.00 ERBB2 (0.72) ERBB2KCNH2EGFRMKNK2
SCHEMBL5637195 0.92 ERBB2 (0.85) ERBB2KCNH2EGFRMKNK2
SCHEMBL5572891 0.91 ERBB2 (0.84) ERBB2KCNH2EGFR
SCHEMBL5572930 0.91 ERBB2 (0.86) ERBB2KCNH2EGFRMKNK2
SCHEMBL5573774 0.91 ERBB2 (0.84) ERBB2KCNH2EGFR
SCHEMBL5637845 0.91 ERBB2 (0.86) ERBB2KCNH2EGFRMKNK2
SCHEMBL5636108 0.91 ERBB2 (0.84) ERBB2KCNH2EGFR
SCHEMBL5635726 0.91 ERBB2 (0.84) ERBB2KCNH2EGFR
SCHEMBL5636848 0.90 ERBB2 (0.71) ERBB2KCNH2EGFRMKNK2
SCHEMBL5572170 0.90 ERBB2 (0.70) ERBB2KCNH2EGFRMKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO disclosed