SCHEMBL13333228

SCHEMBL13333228

CNCC1=CC=C(C(=O)Nc2sc(Nc3ccncc3)nc2C(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 11/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
PIP5K1C O60331 1/20 0.41
TBK1 Q9UHD2 3/20 0.40
IKBKE Q14164 2/20 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
SCHEMBL13333382 0.77 TBK1 (0.45) TNIKMAPTTP53LMNAPOLB
SCHEMBL13333379 0.76 TNIK (0.58) TNIKMAPTPIP5K1CTBK1IKBKE
SCHEMBL13333227 0.74 TNIK (0.53) TNIKTBK1IKBKE
SCHEMBL13333377 0.74 TNIK (0.60) TNIKMAPTTP53LMNAPOLB
SCHEMBL13333406 0.73 TNIK (0.50) TNIKMAPTTP53LMNAPOLB
SCHEMBL13333124 0.73 TNIK (0.53) TNIKMAPTTBK1
SCHEMBL15713027 0.72 TNIK (0.55) TNIKMAPTTP53LMNAPOLB
SCHEMBL3396744 0.72 TBK1 (0.69) TNIKMAPTTP53LMNAPOLB
SCHEMBL3392675 0.72 TNIK (0.71) TNIKMAPTTP53LMNAPOLB
SCHEMBL13333383 0.71 TNIK (0.43) TNIKMAPT

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