SCHEMBL6234836

SCHEMBL6234836

CN(C)C(=O)O[C@@H]1CN[C@H](C#Cc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)C1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
ERBB2 P04626 19/20 0.84

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
SCHEMBL6232622 1.00 EGFR (0.84) EGFRERBB2
SCHEMBL6232629 1.00 EGFR (0.84) EGFRERBB2
SCHEMBL6233249 1.00 EGFR (0.84) EGFRERBB2
SCHEMBL6236048 1.00 EGFR (0.84) EGFRERBB2
SCHEMBL6233864 0.92 EGFR (0.83) EGFRERBB2
Gsk-182497A SCHEMBL6235435 0.91 EGFR (1.00) EGFRERBB2
Gsk-182497A SCHEMBL6236347 0.91 EGFR (1.00) EGFRERBB2
Gsk-182497A SCHEMBL6235426 0.91 EGFR (1.00) EGFRERBB2
Gsk-182497A SCHEMBL6236489 0.91 EGFR (1.00) EGFRERBB2
Gsk-238063A SCHEMBL6241800 0.91 EGFR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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