SCHEMBL9989382

SCHEMBL9989382

CCNCC(=O)N[C@@H](C)c1cccc(-c2nc3c(ncc4ncn(C)c43)s2)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.74
CHUK O15111 3/20 0.62
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50

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
SCHEMBL9990925 0.93 IKBKB (0.64) IKBKBCHUKJAK2TYK2
SCHEMBL5113451 0.92 IKBKB (0.63) IKBKBCHUKJAK2TYK2
SCHEMBL5103114 0.91 IKBKB (0.62) IKBKBCHUKJAK2TYK2
SCHEMBL5106385 0.91 IKBKB (0.72) IKBKBCHUKJAK2TYK2
SCHEMBL5106530 0.91 IKBKB (0.61) IKBKBCHUKJAK2TYK2
SCHEMBL5102853 0.90 IKBKB (0.60) IKBKBCHUKJAK2TYK2
SCHEMBL5099445 0.90 IKBKB (0.62) IKBKBCHUKJAK2TYK2
SCHEMBL5106468 0.90 IKBKB (0.61) IKBKBCHUKJAK2TYK2
SCHEMBL5113221 0.89 IKBKB (0.74) IKBKBCHUKJAK2TYK2
SCHEMBL5106329 0.89 IKBKB (0.61) IKBKBCHUKJAK2TYK2

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
EP-1833836-B1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2011-12-21 EP disclosed