SCHEMBL6235597

SCHEMBL6235597

O[C@@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(Oc5cccc6ccccc56)c(Cl)c4)c3s2)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
ERBB2 P04626 20/20 0.69

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
SCHEMBL6233371 0.87 EGFR (0.69) EGFRERBB2
SCHEMBL6233364 0.87 EGFR (0.69) EGFRERBB2
SCHEMBL6237025 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL6235170 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL6234201 0.82 EGFR (1.00) EGFRERBB2
Hydrochloric Acid SCHEMBL6270682 0.81 EGFR (0.99) EGFRERBB2
Hydrochloric Acid SCHEMBL6271942 0.81 EGFR (0.99) EGFRERBB2
SCHEMBL6500259 0.81 EGFR (0.54) EGFRERBB2
SCHEMBL6500261 0.81 EGFR (0.54) EGFRERBB2
Hydrochloric Acid SCHEMBL6239229 0.76 EGFR (0.49) 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