SCHEMBL4537859

SCHEMBL4537859

C=C(C(=O)NCCCN1CCOCC1)c1ccc2c(Nc3cccc(Br)c3)ncnc2c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 3/20 0.62

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
SCHEMBL2989655 0.82 EGFR (0.77) EGFR
SCHEMBL2998146 0.78 EGFR (0.88) EGFRERBB2
SCHEMBL3240237 0.77 EGFR (0.70) EGFRERBB2
SCHEMBL2994255 0.77 EGFR (0.83) EGFRERBB2
SCHEMBL2994148 0.76 EGFR (0.79) EGFRERBB2
SCHEMBL15876950 0.76 EGFR (0.80) EGFRERBB2
SCHEMBL2996760 0.76 EGFR (0.73) EGFRERBB2
SCHEMBL2994057 0.75 EGFR (1.00) EGFRERBB2
SCHEMBL4191488 0.75 EGFR (0.76) EGFRERBB2
SCHEMBL2996621 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed