SCHEMBL6584930

SCHEMBL6584930

CC(C)C(NCC#CC(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6585876 0.71 CYP2D6 (0.43) CYP2D6CYP2C19
SCHEMBL3101364 0.69
SCHEMBL7717660 0.69 ALDH1A1 (0.43) CYP2D6CYP2C19
SCHEMBL23390667 0.67
SCHEMBL12824234 0.67 KDM4E (0.39)
SCHEMBL5653154 0.67
SCHEMBL15669395 0.65 CA1 (0.36) CYP2D6CYP2C19
SCHEMBL5653158 0.65
SCHEMBL73409 0.64
SCHEMBL12824337 0.64 MEN1 (0.44)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000039-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS WYETH CORP (US) 2004-06-09 EP disclosed
US-6251912-B1 Substituted quinazoline derivatives AMERICAN CYANAMID COMPANY 2001-06-26 US disclosed
EP-1000039-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS American Cyanamid Company (US) 2000-05-17 EP disclosed
WO-1999009016-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-02-25 WO disclosed