SCHEMBL23728980

SCHEMBL23728980

COc1ccc(Nc2ccnc(Nc3cc([N+](=O)[O-])c(N(C)CCN(C)C)cc3OC)n2)c(C=N)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.48
ALK Q9UM73 3/20 0.47
EML4 Q9HC35 2/20 0.46
KCNH2 Q12809 1/20 0.40

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
SCHEMBL19254475 0.81 EGFR (0.49) EGFRALKEML4KCNH2
SCHEMBL29855954 0.81 EGFR (0.54) EGFRALKEML4
SCHEMBL22520229 0.80 EGFR (0.54) EGFRALKEML4
SCHEMBL19254884 0.80 ALK (0.39) EGFRALK
SCHEMBL23462789 0.80 EGFR (0.46) EGFRALKEML4
SCHEMBL19089465 0.79 EGFR (0.48) EGFRALKEML4
SCHEMBL26100362 0.79 EGFR (0.51) EGFRALKEML4
SCHEMBL29943680 0.79 EGFR (0.51) EGFRALKEML4
SCHEMBL30041502 0.78 EGFR (0.51) EGFRALKEML4KCNH2
SCHEMBL21077376 0.78 EGFR (0.54) EGFRKCNH2

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-B1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2021-08-04 EP disclosed