SCHEMBL13333377

SCHEMBL13333377

CNCCNc1ccc(C(=O)Nc2sc(Nc3ccncc3)nc2C(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 18/20 0.60
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
IKBKE Q14164 1/20 0.51
TBK1 Q9UHD2 1/20 0.51

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
SCHEMBL3394961 0.90 TNIK (0.74) TNIKLMNATP53POLBMAPT
SCHEMBL3390775 0.88 TNIK (0.75) TNIKLMNATP53POLBMAPT
SCHEMBL3396325 0.88 TNIK (0.60) TNIKLMNATP53POLBMAPT
SCHEMBL3390831 0.84 TNIK (0.64) TNIKLMNATP53POLBMAPT
SCHEMBL3397644 0.83 TNIK (0.77) TNIKIKBKETBK1
SCHEMBL3396744 0.83 TBK1 (0.69) TNIKLMNATP53POLBMAPT
SCHEMBL3398216 0.82 TNIK (0.59) TNIKLMNATP53POLBMAPT
SCHEMBL3398694 0.82 TNIK (0.67) TNIKLMNATP53POLBMAPT
SCHEMBL3392675 0.82 TNIK (0.71) TNIKLMNATP53POLBMAPT
SCHEMBL2367268 0.81 TNIK (0.68) TNIKLMNATP53POLBMAPT

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