SCHEMBL6236444

SCHEMBL6236444

O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5cc(F)ccc5F)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
SCHEMBL6240354 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6237086 0.95 EGFR (0.90) EGFRERBB2
SCHEMBL6235522 0.95 EGFR (0.90) EGFRERBB2
SCHEMBL6271466 0.94 EGFR (0.89) EGFRERBB2
SCHEMBL6237202 0.94 EGFR (0.89) EGFRERBB2
SCHEMBL6239119 0.94 EGFR (0.88) EGFRERBB2
SCHEMBL6237842 0.91 EGFR (0.90) EGFRERBB2
SCHEMBL6234625 0.91 EGFR (1.00) EGFRERBB2
SCHEMBL6234623 0.91 EGFR (1.00) EGFRERBB2
SCHEMBL6240467 0.91 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