SCHEMBL13333372

SCHEMBL13333372

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)C3=CC=C(NC(=O)CN4CCOCC4)CC3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 9/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.47
KDR P35968 2/20 0.45
WNT3A P56704 1/20 0.44
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
OGA O60502 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL13333373 0.92 KDM4E (0.47) TNIKKDM4EKDRTP53MAPT
SCHEMBL3396815 0.86 TNIK (0.61) TNIKALDH1A1KDM4EKMT2AKDR
SCHEMBL15712779 0.85 TNIK (0.51) TNIKTP53MAPT
SCHEMBL15713027 0.79 TNIK (0.55) TNIKKMT2ATP53MAPT
SCHEMBL3392252 0.79 TNIK (0.60) TNIKKDM4EKDRTP53MAPT
SCHEMBL3394890 0.78 TNIK (0.59) TNIKKDM4EKDR
SCHEMBL3398691 0.78 TNIK (0.64) TNIKGAA
SCHEMBL3394602 0.78 TNIK (0.60) TNIKALDH1A1KDM4EKDRGAA
SCHEMBL13333376 0.78 TNIK (0.48) TNIKTP53MAPT
SCHEMBL3390733 0.78 TNIK (0.62) TNIKKDRIKBKE

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