SCHEMBL13333376

SCHEMBL13333376

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)C3=CC=C(OCCN4CCCC4)CC3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 17/20 0.48
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TERT O14746 1/20 0.40

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
SCHEMBL13333406 0.88 TNIK (0.50) TNIKTP53MAPT
SCHEMBL3397183 0.85 TNIK (0.60) TNIKTP53MAPT
SCHEMBL13333373 0.83 KDM4E (0.47) TNIKTP53MAPT
SCHEMBL13333153 0.83 MAPT (0.51) TNIKTP53MAPT
SCHEMBL3396884 0.81 TNIK (0.55) TNIK
SCHEMBL15713027 0.80 TNIK (0.55) TNIKTP53MAPT
SCHEMBL13333401 0.80 TNIK (0.52) TNIKTP53MAPT
SCHEMBL3394878 0.79 TNIK (0.75) TNIK
SCHEMBL3394602 0.78 TNIK (0.60) TNIKMAPT
SCHEMBL3392237 0.78 TNIK (0.76) 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