SCHEMBL13333379

SCHEMBL13333379

NC(=O)c1nc(Nc2ccncc2)sc1NC(=O)C1=CC=C(NCCN2CCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 15/20 0.58
TBK1 Q9UHD2 2/20 0.44
PIP5K1C O60331 1/20 0.41
IKBKE Q14164 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL3397644 0.85 TNIK (0.77) TNIKTBK1IKBKE
SCHEMBL13333401 0.85 TNIK (0.52) TNIKMAPT
SCHEMBL13333383 0.78 TNIK (0.43) TNIKMAPT
SCHEMBL13333373 0.77 KDM4E (0.47) TNIKMAPT
SCHEMBL3397313 0.76 TNIK (0.75) TNIKTBK1
SCHEMBL13333228 0.76 TNIK (0.46) TNIKTBK1PIP5K1CIKBKEMAPT
SCHEMBL13333382 0.75 TBK1 (0.45) TNIKTBK1PIP5K1CIKBKEMAPT
SCHEMBL13333376 0.75 TNIK (0.48) TNIKMAPT
SCHEMBL3392237 0.75 TNIK (0.76) TNIK
SCHEMBL3394878 0.74 TNIK (0.75) TNIK

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-2010064111-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI (JP) 2010-06-10 WO disclosed