SCHEMBL2371218

SCHEMBL2371218

COc1ccc(Nc2nc(C(N)=O)c(Nc3ccc(O)cc3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 6/20 0.57
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
NPC1 O15118 6/20 0.53
MAPT P10636 6/20 0.52
TP53 P04637 1/20 0.52
VCP P55072 1/20 0.51
RAB9A P51151 4/20 0.50
GAA P10253 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
AMY1A P0DUB6 1/20 0.48
POLB P06746 2/20 0.48
TUBB8B A6NNZ2 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBB4B P68371 1/20 0.47

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
SCHEMBL2367144 0.89 TNIK (0.71) TNIKMAPTTP53POLBLMNA
SCHEMBL3398128 0.83 TNIK (0.77) TNIKMEN1KMT2ANPC1MAPT
SCHEMBL2366634 0.82 MEN1 (0.64) TNIKMEN1KMT2ANPC1MAPT
SCHEMBL27845683 0.80 TNIK (0.53) TNIKMEN1KMT2ANPC1MAPT
SCHEMBL27826865 0.80 MAPT (0.69) TNIKMEN1KMT2ANPC1MAPT
SCHEMBL2366979 0.79 TNIK (0.85) TNIKMEN1KMT2ANPC1MAPT
SCHEMBL2372470 0.79 IKBKE (0.66) TNIK
SCHEMBL2367157 0.78 TNIK (0.73) TNIKMAPTTP53POLBLMNA
SCHEMBL2367080 0.78 TNIK (0.70) TNIKMEN1KMT2ANPC1MAPT
SCHEMBL3393549 0.78 TNIK (0.70) TNIKMEN1KMT2ANPC1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364149-A1 TNIK INHIBITOR AND THE USE National Cancer Center (JP) 2011-09-14 EP disclosed
WO-2010064111-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI (JP) 2010-06-10 WO disclosed