SCHEMBL7033196

SCHEMBL7033196

C=CCC1=C(C)C(=O)C(C(C)(C)CC(=O)Oc2ccc(N(CCCl)CCCl)cc2)=C(C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.31
ERBB2 P04626 3/20 0.31

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
SCHEMBL7030425 0.93 EGFR (0.32) EGFRERBB2
SCHEMBL7020871 0.87 EGFR (0.36) EGFRERBB2
SCHEMBL7023727 0.87 EGFR (0.37) EGFRERBB2
SCHEMBL7639926 0.85 EGFR (0.38) EGFRERBB2
SCHEMBL7026841 0.84 EGFR (0.33) EGFRERBB2
SCHEMBL7027701 0.84 MEN1 (0.32) EGFRERBB2
SCHEMBL7033389 0.84 EGFR (0.35) EGFRERBB2
SCHEMBL7027358 0.81 EGFR (0.35) EGFRERBB2
SCHEMBL7024459 0.81 CA12 (0.33) EGFRERBB2
SCHEMBL7023447 0.80 LMNA (0.36) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US claimed
EP-1064253-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP claimed
WO-1999048857-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO claimed
EP-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US disclosed