SCHEMBL6233048

SCHEMBL6233048

O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(Oc6ccccn6)cccc5c4)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
SCHEMBL6233056 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6231789 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL6236274 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL6236781 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL6231800 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL6234730 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL6236644 0.84 EGFR (0.89) EGFRERBB2
SCHEMBL6236035 0.84 EGFR (0.89) EGFRERBB2
SCHEMBL6235209 0.84 EGFR (0.89) EGFRERBB2
SCHEMBL6235208 0.84 EGFR (0.89) 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 4 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
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed