SCHEMBL28790616

SCHEMBL28790616

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(N(C[SH](=O)=O)S(C)(=O)=O)cc3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 18/20 0.57
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL3499686 0.88 TNIK (0.65) TNIKTP53MAPTLMNAPOLB
SCHEMBL15663252 0.86 TNIK (0.60) TNIKTP53MAPTLMNAPOLB
SCHEMBL3398128 0.84 TNIK (0.77) TNIKTP53MAPTLMNAPOLB
SCHEMBL3394629 0.83 TP53 (0.77) TNIKTP53MAPTLMNAPOLB
SCHEMBL2366931 0.82 TNIK (0.67) TNIKTP53MAPTLMNAPOLB
SCHEMBL3435797 0.80 TNIK (0.67) TNIKTP53MAPTLMNAPOLB
SCHEMBL3394949 0.80 TNIK (0.64) TNIKTP53MAPTLMNAPOLB
SCHEMBL2367144 0.80 TNIK (0.71) TNIKTP53MAPTLMNAPOLB
SCHEMBL2366979 0.80 TNIK (0.85) TNIKTP53MAPTLMNAPOLB
SCHEMBL3396885 0.79 TNIK (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102227218-A Tnik inhibitor and use thereof TESSHI YAMADA 2011-10-26 CN disclosed