SCHEMBL13333382

SCHEMBL13333382

NC(=O)c1nc(Nc2ccncc2)sc1NC(=O)C1=CC=C(N2CCNCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.45
IKBKE Q14164 2/20 0.45
TNIK Q9UKE5 10/20 0.42
MAPT P10636 5/20 0.42
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PIP5K1C O60331 1/20 0.39

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
SCHEMBL13333228 0.77 TNIK (0.46) TBK1IKBKETNIKMAPTTP53
SCHEMBL13333375 0.77 TNIK (0.47) TNIKMAPTTP53
SCHEMBL3394633 0.76 TBK1 (0.77) TBK1IKBKETNIK
SCHEMBL13333379 0.75 TNIK (0.58) TBK1IKBKETNIKMAPTPIP5K1C
SCHEMBL3393610 0.70 TNIK (0.74) TBK1IKBKETNIKMAPTTP53
SCHEMBL3396744 0.70 TBK1 (0.69) TBK1IKBKETNIKMAPTTP53
SCHEMBL3390831 0.69 TNIK (0.64) TBK1IKBKETNIKMAPTTP53
SCHEMBL15713027 0.69 TNIK (0.55) TNIKMAPTTP53LMNAPOLB
SCHEMBL13333407 0.68 MAPT (0.56) TNIKMAPTTP53LMNAPOLB
SCHEMBL13333383 0.68 TNIK (0.43) TNIKMAPT

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