SCHEMBL4390260

SCHEMBL4390260

O=C(O)N1CCC[C@@H](COc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c23)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.63
ERBB2 P04626 18/20 0.57
KCNH2 Q12809 5/20 0.48

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
SCHEMBL4390878 1.00 EGFR (0.63) EGFRERBB2KCNH2
SCHEMBL4397170 0.93 ERBB2 (0.63) EGFRERBB2KCNH2
SCHEMBL4388273 0.93 ERBB2 (0.63) EGFRERBB2KCNH2
SCHEMBL5470390 0.91 EGFR (0.61) EGFRERBB2KCNH2
SCHEMBL5477808 0.91 EGFR (0.61) EGFRERBB2KCNH2
SCHEMBL5491382 0.91 EGFR (0.62) EGFRERBB2KCNH2
SCHEMBL4384932 0.89 ERBB2 (0.72) EGFRERBB2KCNH2
SCHEMBL4387752 0.89 ERBB2 (0.72) EGFRERBB2KCNH2
SCHEMBL4385684 0.87 ERBB2 (0.56) EGFRERBB2KCNH2
SCHEMBL4389133 0.86 EGFR (0.65) EGFRERBB2KCNH2

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-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed