SCHEMBL6238637

SCHEMBL6238637

CCNC(=O)OC1CNC(C#Cc2cc3ncnc(Nc4ccc5c(ccn5Cc5cc(F)ccc5F)c4)c3s2)C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.64
ERBB2 P04626 20/20 0.64

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
SCHEMBL6233311 1.00 EGFR (0.64) EGFRERBB2
SCHEMBL6238108 0.91 EGFR (0.65) EGFRERBB2
SCHEMBL6238409 0.91 EGFR (0.65) EGFRERBB2
SCHEMBL6234585 0.90 EGFR (0.79) EGFRERBB2
SCHEMBL6234591 0.90 EGFR (0.79) EGFRERBB2
SCHEMBL6243322 0.89 EGFR (0.73) EGFRERBB2
Hydrochloric Acid SCHEMBL6269151 0.88 EGFR (0.72) EGFRERBB2
Hydrochloric Acid SCHEMBL6269156 0.88 EGFR (0.72) EGFRERBB2
SCHEMBL6237056 0.88 EGFR (0.82) EGFRERBB2
SCHEMBL6232958 0.88 EGFR (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed