SCHEMBL13333383

SCHEMBL13333383

NC(=O)c1nc(Nc2cccnc2)sc1NC(=O)C1=CC=C(NCCc2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 17/20 0.43
MAPT P10636 2/20 0.41
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 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
SCHEMBL3396750 0.85 TNIK (0.57) TNIKMAPT
SCHEMBL13333379 0.78 TNIK (0.58) TNIKMAPT
SCHEMBL3396325 0.75 TNIK (0.60) TNIKMAPT
SCHEMBL13333124 0.75 TNIK (0.53) TNIKMAPT
SCHEMBL13333227 0.75 TNIK (0.53) TNIK
SCHEMBL3393595 0.74 TNIK (0.72) TNIKMAPT
SCHEMBL16710221 0.72 TNIK (0.77) TNIK
SCHEMBL13333228 0.71 TNIK (0.46) TNIKMAPT
SCHEMBL3397542 0.71 TNIK (0.73) TNIKMAPT
SCHEMBL3393673 0.71 TNIK (0.67) TNIKMAPTCDK5CDK5R1

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