SCHEMBL2367066

SCHEMBL2367066

COc1ccc(C(=O)Nc2sc(Nc3ccncc3)nc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 7/20 0.58
CDK5 Q00535 3/20 0.57
CDK5R1 Q15078 3/20 0.57
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
CSNK2A2 P19784 2/20 0.47
CSNK2A1 P68400 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
PPARG P37231 1/20 0.47
PTK2B Q14289 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL2367268 0.91 TNIK (0.68) TNIKCDK5CDK5R1MAPTTP53
SCHEMBL2423694 0.87 ALDH1A1 (0.56) TNIKCDK5CDK5R1MAPTLMNA
SCHEMBL2397849 0.85 TNIK (0.57) TNIKMAPTTP53POLBLMNA
SCHEMBL3398128 0.84 TNIK (0.77) TNIKMAPTTP53POLBLMNA
SCHEMBL2367192 0.83 TNIK (0.78) TNIKCDK5CDK5R1MAPTTP53
SCHEMBL2366979 0.80 TNIK (0.85) TNIKMAPTTP53POLBLMNA
SCHEMBL2367144 0.80 TNIK (0.71) TNIKMAPTTP53POLBLMNA
SCHEMBL3398694 0.80 TNIK (0.67) TNIKMAPTTP53POLBLMNA
SCHEMBL2367157 0.80 TNIK (0.73) TNIKMAPTTP53POLBLMNA
SCHEMBL2367080 0.80 TNIK (0.70) TNIKMAPTTP53POLBLMNA

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