SCHEMBL6512268

SCHEMBL6512268

NC(=O)Nc1sc(N)cc1NC=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 1/20 0.35
MEN1 O00255 1/20 0.33
EIF2AK2 P19525 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM5A P29375 2/20 0.33
CHEK1 O14757 4/20 0.32
MAP4K4 O95819 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL6506529 0.83 KDM5A (0.36) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6514944 0.81 KDM5A (0.37) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6505649 0.80 IKBKB (0.45) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6506816 0.77 CHEK1 (0.36) IKBKBCHEK1MAPK1
SCHEMBL6505745 0.72 IKBKB (0.57) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6509499 0.71 PTK2 (0.40) MEN1KMT2AKDM5AMAPK1
Hydrochloric Acid SCHEMBL6510283 0.70 IKBKB (0.55) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6512326 0.70 IKBKB (0.36) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6508772 0.69 IKBKB (0.38) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6508526 0.64 PTK2 (0.40) MEN1KMT2AMAPK1

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-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed