SCHEMBL4444680

SCHEMBL4444680

COCCN[C@H](C)C(=O)NCc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.73
ERBB2 P04626 2/20 0.57

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
SCHEMBL4449110 1.00 EGFR (0.73) EGFRERBB2
SCHEMBL4449261 0.92 EGFR (0.76) EGFR
SCHEMBL4441248 0.92 EGFR (0.76) EGFR
SCHEMBL4449173 0.91 EGFR (0.71) EGFRERBB2
SCHEMBL4454338 0.90 EGFR (0.75) EGFRERBB2
SCHEMBL4447202 0.90 EGFR (0.75) EGFRERBB2
SCHEMBL4446930 0.89 EGFR (0.70) EGFRERBB2
SCHEMBL4443442 0.89 EGFR (0.74) EGFR
SCHEMBL4454616 0.89 EGFR (0.74) EGFR
SCHEMBL4449139 0.89 EGFR (0.67) 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
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed