SCHEMBL6240668

SCHEMBL6240668

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](N)C[C@@H]1C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 14/20 0.53

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
SCHEMBL6234261 0.91 EGFR (0.65) EGFRERBB2
SCHEMBL6237451 0.90 EGFR (0.58) EGFRERBB2
SCHEMBL6233960 0.81 EGFR (0.63) EGFRERBB2
SCHEMBL6233743 0.81 EGFR (0.64) EGFRERBB2
SCHEMBL6487016 0.79 EGFR (0.77) EGFRERBB2
SCHEMBL6256786 0.78 EGFR (0.73) EGFRERBB2
SCHEMBL6243283 0.78 EGFR (0.73) EGFRERBB2
SCHEMBL6255000 0.78 EGFR (0.73) EGFRERBB2
SCHEMBL6254806 0.78 EGFR (0.73) EGFRERBB2
SCHEMBL6233864 0.78 EGFR (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed