SCHEMBL2397849

SCHEMBL2397849

COCCOc1ccc(Nc2nc(C(=O)O)c(NC(=O)c3ccc(OC)cc3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 11/20 0.57
CSNK2A2 P19784 4/20 0.49
CSNK2A1 P68400 4/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
SCD O00767 1/20 0.46

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
SCHEMBL3394774 0.92 TNIK (0.67) TNIKTP53MAPTLMNAPOLB
SCHEMBL3390562 0.92 TNIK (0.67) TNIKTP53MAPTLMNAPOLB
SCHEMBL3396902 0.86 TNIK (0.69) TNIKTP53MAPTLMNAPOLB
SCHEMBL13333398 0.86 TNIK (0.69) TNIKTP53MAPTLMNAPOLB
SCHEMBL2367066 0.85 TNIK (0.58) TNIKCSNK2A2CSNK2A1TP53MAPT
SCHEMBL3398128 0.83 TNIK (0.77) TNIKTP53MAPTLMNAPOLB
SCHEMBL3434372 0.83 TNIK (0.63) TNIKTP53MAPTLMNAPOLB
SCHEMBL3394542 0.81 TNIK (0.74) TNIKTP53MAPTLMNAPOLB
SCHEMBL3393572 0.81 TNIK (0.65) TNIKTP53MAPTLMNAPOLB
SCHEMBL3397322 0.81 TNIK (0.62) TNIKTP53MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364149-B1 TNIK INHIBITOR AND THE USE NAT CANCER CT (JP) 2014-05-07 EP disclosed
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