SCHEMBL19254711

SCHEMBL19254711

C=CC(=O)Nc1cc(Nc2nccc(Nc3ccc(OC)cc3C(=N)C3CC3)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.67
ALK Q9UM73 3/20 0.65
EML4 Q9HC35 2/20 0.64
KCNH2 Q12809 1/20 0.59

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
SCHEMBL17683089 0.85 EGFR (0.77) EGFRALKEML4
SCHEMBL19337177 0.84 EGFR (0.76) EGFRALKEML4KCNH2
SCHEMBL17683091 0.84 EGFR (0.81) EGFRALKEML4KCNH2
SCHEMBL19254476 0.84 EGFR (0.71) EGFRALKEML4KCNH2
SCHEMBL19337136 0.82 EGFR (0.77) EGFRALKEML4KCNH2
SCHEMBL17683101 0.82 EGFR (0.70) EGFRALKEML4KCNH2
SCHEMBL19337163 0.81 EGFR (0.76) EGFRALKEML4KCNH2
SCHEMBL19089663 0.81 EGFR (0.82) EGFRALKEML4KCNH2
SCHEMBL20655381 0.81 EGFR (0.73) EGFRALKEML4
SCHEMBL17683095 0.80 EGFR (0.72) EGFRALKEML4KCNH2

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-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 EP disclosed