SCHEMBL6017562

SCHEMBL6017562

Cc1ccccc1N(C)CC(=O)N1CCC(Oc2ccc3ncnc(Nc4ccc(OCc5ccccn5)cc4)c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.51
ERBB2 P04626 11/20 0.51
ERBB4 Q15303 3/20 0.49

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
SCHEMBL5565179 0.92 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL5564542 0.84 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL5564723 0.84 EGFR (0.63) EGFRERBB2
SCHEMBL5569519 0.83 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL5568830 0.83 ERBB2 (0.51) EGFRERBB2ERBB4
SCHEMBL5567844 0.80 ERBB2 (0.58) EGFRERBB2
Hydrochloric Acid SCHEMBL5564704 0.80 ERBB2 (0.57) EGFRERBB2
SCHEMBL5567987 0.79 EGFR (0.63) EGFRERBB2
SCHEMBL5568052 0.78 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL5564685 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed