SCHEMBL13333373

SCHEMBL13333373

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)C3=CC=C(NC(=O)CN4CCCCC4)CC3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TNIK Q9UKE5 10/20 0.47
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
KDR P35968 4/20 0.44
ESR1 P03372 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL13333372 0.92 TNIK (0.49) KDM4ETNIKMAPTTP53KDR
SCHEMBL15712779 0.87 TNIK (0.51) TNIKMAPTTP53LMNA
SCHEMBL3394890 0.86 TNIK (0.59) KDM4ETNIKKDRESR1
SCHEMBL3392252 0.85 TNIK (0.60) KDM4ETNIKMAPTTP53KDR
SCHEMBL13333376 0.83 TNIK (0.48) TNIKMAPTTP53
SCHEMBL15713027 0.80 TNIK (0.55) TNIKMAPTTP53LMNA
SCHEMBL3390733 0.79 TNIK (0.62) TNIKKDRESR1
SCHEMBL3396815 0.78 TNIK (0.61) KDM4ETNIKKDR
SCHEMBL13333379 0.77 TNIK (0.58) TNIKMAPT
SCHEMBL13333401 0.77 TNIK (0.52) TNIKMAPTTP53

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