SCHEMBL4213030

SCHEMBL4213030

Oc1cc(OC2CCOCC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.77
ERBB2 P04626 1/20 0.56

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
SCHEMBL4031629 0.95 EGFR (0.78) EGFR
Trifluoroacetic Acid SCHEMBL4033796 0.93 EGFR (0.69) EGFRERBB2
Trifluoroacetic Acid SCHEMBL4032906 0.89 EGFR (0.69) EGFR
SCHEMBL4038435 0.87 EGFR (1.00) EGFR
SCHEMBL4033491 0.87 EGFR (0.79) EGFRERBB2
SCHEMBL4036090 0.87 EGFR (0.77) EGFRERBB2
SCHEMBL15643134 0.86 EGFR (0.84) EGFRERBB2
SCHEMBL4034731 0.86 EGFR (0.86) EGFRERBB2
SCHEMBL4036184 0.85 EGFR (0.67) EGFRERBB2
Trifluoroacetic Acid SCHEMBL4031804 0.85 EGFR (0.59) 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
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed