SCHEMBL7004584

SCHEMBL7004584

NCCCn1cc(-c2c[nH]c(=O)n2-c2csc3ccccc23)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 15/20 0.61
RPS6KB1 P23443 1/20 0.51
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
PIM1 P11309 1/20 0.47
KISS1R Q969F8 1/20 0.47
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46

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
Acetic Acid SCHEMBL7012664 0.94 CAMK2D (0.56) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
SCHEMBL7007889 0.82 CAMK2D (0.62) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
SCHEMBL7005430 0.82 CAMK2D (0.59) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
SCHEMBL6980073 0.82 CAMK2D (0.56) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
SCHEMBL7005339 0.81 CAMK2D (0.55) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
Acetic Acid SCHEMBL7007558 0.78 CAMK2D (0.53) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
Acetic Acid SCHEMBL6983601 0.78 CAMK2D (0.52) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
SCHEMBL7007161 0.77 CAMK2D (0.57) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
SCHEMBL7007656 0.76 CAMK2D (0.57) CAMK2DRPS6KB1PRKACAPRKACGPRKACB
Trifluoroacetic Acid SCHEMBL7011017 0.75 CAMK2D (0.54) CAMK2DRPS6KB1PRKACAPRKACGPRKACB

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-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP claimed
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed