SCHEMBL28046215

SCHEMBL28046215

CCOc1cc2ncc(C#N)c(Nc3cccc(CC(C)=O)c3)c2cc1N

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 11/20 0.61
EGFR P00533 9/20 0.60
ERBB2 P04626 9/20 0.60

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
SCHEMBL22419601 0.84 EGFR (0.71) STK4EGFRERBB2
SCHEMBL1897571 0.83 EGFR (0.85) STK4EGFRERBB2
SCHEMBL20584416 0.83 EGFR (0.71) STK4EGFRERBB2
SCHEMBL30132269 0.83 EGFR (0.72) STK4EGFRERBB2
SCHEMBL2131741 0.83 EGFR (0.72) STK4EGFRERBB2
SCHEMBL29670932 0.83 EGFR (0.72) STK4EGFRERBB2
SCHEMBL27460925 0.81 EGFR (0.77) STK4EGFRERBB2
SCHEMBL6381507 0.80 EGFR (0.82) STK4EGFRERBB2
SCHEMBL28547991 0.79 EGFR (0.64) STK4EGFRERBB2
SCHEMBL28547159 0.78 STK4 (0.70) STK4EGFRERBB2

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
CN-105175331-A Preparation method for EGFR molecule targeting antitumor drug JIANGSU SZYY GROUP PHARMACEUTICAL LTD 2015-12-23 CN disclosed