SCHEMBL6235449

SCHEMBL6235449

CCC(=O)O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)C1

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
SCHEMBL6235455 1.00 EGFR (1.00) EGFRERBB2
Gsk-192082A SCHEMBL6238220 0.93 EGFR (1.00) EGFRERBB2
Gsk-192082A SCHEMBL6232612 0.93 EGFR (1.00) EGFRERBB2
Gsk-192082A SCHEMBL6232618 0.93 EGFR (1.00) EGFRERBB2
Gsk-192082A SCHEMBL30467435 0.93 EGFR (1.00) EGFRERBB2
SCHEMBL6238294 0.93 EGFR (1.00) EGFRERBB2
Gsk-192082A SCHEMBL6235890 0.93 EGFR (1.00) EGFRERBB2
SCHEMBL6238304 0.93 EGFR (1.00) EGFRERBB2
Gsk-192082A SCHEMBL6241530 0.93 EGFR (1.00) EGFRERBB2
SCHEMBL6238996 0.92 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