SCHEMBL6233507

SCHEMBL6233507

O=C(OC1CNC(C#Cc2cc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3s2)C1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
ERBB2 P04626 18/20 1.00

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
SCHEMBL6239664 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6235313 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6242885 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6233499 1.00 EGFR (1.00) EGFRERBB2
Hydrochloric Acid SCHEMBL6239780 0.99 EGFR (0.99) EGFRERBB2
Hydrochloric Acid SCHEMBL6239785 0.99 EGFR (0.99) EGFRERBB2
SCHEMBL6234959 0.94 EGFR (0.90) EGFRERBB2
SCHEMBL6235986 0.94 EGFR (0.90) EGFRERBB2
SCHEMBL6236977 0.94 EGFR (0.90) EGFRERBB2
SCHEMBL6234965 0.94 EGFR (0.90) 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