SCHEMBL4732086

SCHEMBL4732086

COCC(=O)N1CCCC1COc1cc(OC)cc2ncnc(Nc3ccc(F)c(Cl)c3)c12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 4/20 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
SCHEMBL3519411 1.00 EGFR (0.62) EGFRERBB2
SCHEMBL4735610 0.93 EGFR (0.65) EGFRERBB2
SCHEMBL3525133 0.93 EGFR (0.65) EGFRERBB2
SCHEMBL3522831 0.93 EGFR (0.65) EGFRERBB2
SCHEMBL3525143 0.92 EGFR (0.69) EGFRERBB2
SCHEMBL3521645 0.92 EGFR (0.65) EGFRERBB2
SCHEMBL3522078 0.91 EGFR (0.61) EGFRERBB2
SCHEMBL3524444 0.91 EGFR (0.63) EGFRERBB2
SCHEMBL3525158 0.91 EGFR (0.63) EGFRERBB2
SCHEMBL1675982 0.91 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622620-B1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-02-20 EP disclosed
EP-1622620-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 WO disclosed