SCHEMBL6236141

SCHEMBL6236141

O=C(OC1CNC(C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)C1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 20/20 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
SCHEMBL6241736 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6239814 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6236136 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6235386 0.99 EGFR (0.99) EGFRERBB2
SCHEMBL6235391 0.99 EGFR (0.99) EGFRERBB2
SCHEMBL6239657 0.95 EGFR (1.00) EGFRERBB2
SCHEMBL6237902 0.95 EGFR (0.91) EGFRERBB2
SCHEMBL6237895 0.95 EGFR (0.91) EGFRERBB2
SCHEMBL6239661 0.95 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6234664 0.95 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