SCHEMBL5748166

SCHEMBL5748166

CC(C)(C)OC(=O)C1CC=CCCN1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL20767247 0.85 MAPK1 (0.34) MAPK1NFKB1NFKB2RELA
SCHEMBL2783077 0.83 MAPK1 (0.35) MAPK1NFKB1NFKB2RELA
SCHEMBL7359958 0.76 MAPK1 (0.36) MAPK1
SCHEMBL22152561 0.76 MAPK1 (0.36) MAPK1
SCHEMBL7379626 0.76 MAPK1 (0.36) MAPK1
SCHEMBL6588171 0.73 MAPK1 (0.33) MAPK1
SCHEMBL16915099 0.73 NFKB1 (0.40) MAPK1NFKB1NFKB2RELA
SCHEMBL4872602 0.72 CYP2D6 (0.37)
SCHEMBL248747 0.72 NOS2 (0.39)
SCHEMBL248746 0.72 NOS2 (0.39)

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-2900666-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Ignyta, Inc. (US) 2015-08-05 EP disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed