SCHEMBL5339911

SCHEMBL5339911

O=C(CO)N1CCCC1COc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.64
EGFR P00533 11/20 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
SCHEMBL4173662 1.00 ERBB2 (0.64) ERBB2EGFR
SCHEMBL4180711 0.89 ERBB2 (0.71) ERBB2EGFR
SCHEMBL4171631 0.88 ERBB2 (0.65) ERBB2EGFR
SCHEMBL4176232 0.87 ERBB2 (0.68) ERBB2EGFR
SCHEMBL4177522 0.86 ERBB2 (0.64) ERBB2EGFR
SCHEMBL4387806 0.83 ERBB2 (0.76) ERBB2EGFR
SCHEMBL4180207 0.82 ERBB2 (0.63) ERBB2EGFR
SCHEMBL4382756 0.81 EGFR (0.73) ERBB2EGFR
SCHEMBL4030835 0.81 ERBB2 (0.68) ERBB2EGFR
SCHEMBL3378119 0.81 ERBB2 (0.77) ERBB2EGFR

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
EP-1858884-A1 INDAZOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-11-28 EP disclosed
WO-2006092573-A1 INDAZOLYLAMINO QIONAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-09-08 WO disclosed