Sugi Predict

Sugi Predict / Compounds / SCHEMBL9989054

SCHEMBL9989054

SCHEMBL9989054

C[C@H](NC(=O)c1cncn1C)c1cccc(-c2nc3c(ncc4ncn(C)c43)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 20/20 0.57
▸ CHUK O15111 4/20 0.57
▸ JAK2 O60674 1/20 0.53
▸ TYK2 P29597 1/20 0.53
▸ CDK2 P24941 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ IKBKE Q14164 1/20 0.40

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
SCHEMBL9990909 0.90 IKBKB (0.57) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5103455 0.88 IKBKB (0.57) IKBKBCHUKJAK2TYK2
SCHEMBL9989953 0.88 IKBKB (0.59) IKBKBCHUKJAK2TYK2
SCHEMBL5113252 0.88 IKBKB (0.63) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5106110 0.88 IKBKB (0.73) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5103401 0.87 IKBKB (0.56) IKBKBCHUKJAK2TYK2
SCHEMBL5113368 0.87 IKBKB (0.56) IKBKBCHUKJAK2TYK2
SCHEMBL5111880 0.86 IKBKB (0.61) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5103196 0.86 IKBKB (0.57) IKBKBCHUKJAK2TYK2
SCHEMBL9989998 0.86 IKBKB (0.57) IKBKBCHUKJAK2TYK2CDK2

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