SCHEMBL6239939

SCHEMBL6239939

Fc1cccc(COc2ccc(Nc3ncnc4cc(C#C[C@@H]5C[CH]CN5)sc34)cc2Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.79
ERBB2 P04626 20/20 0.79
ERBB4 Q15303 1/20 0.79

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
SCHEMBL6236689 0.90 EGFR (0.93) EGFRERBB2ERBB4
SCHEMBL6236687 0.90 EGFR (0.93) EGFRERBB2ERBB4
SCHEMBL6236150 0.88 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL6239025 0.88 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL6236147 0.88 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL6234628 0.87 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL6235170 0.87 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL6237025 0.87 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL6234201 0.87 EGFR (1.00) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL6270682 0.86 EGFR (0.99) EGFRERBB2ERBB4

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