SCHEMBL14712409

SCHEMBL14712409

NCn1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.71
AURKA O14965 3/20 0.71
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
GSK3B P49841 1/20 0.49
DYRK1A Q13627 1/20 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
SCHEMBL14712426 0.94 ITK (0.68) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712507 0.91 ITK (0.70) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712590 0.89 ITK (0.79) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL16165855 0.89 ITK (0.74) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712599 0.88 ITK (0.73) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712588 0.88 ITK (0.73) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712604 0.88 ITK (0.66) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712583 0.88 ITK (0.68) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712555 0.88 ITK (0.70) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL16165893 0.87 ITK (0.72) ITKAURKAPRKACAPRKACGPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed