SCHEMBL5658479

SCHEMBL5658479

CNc1nc2sc(NCc3ccc(OC)cc3)nc2c2c1ncn2C

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.77
CHUK O15111 11/20 0.63
CDK2 P24941 2/20 0.49
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
BTK Q06187 1/20 0.49
ITK Q08881 1/20 0.49
IKBKE Q14164 1/20 0.49

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
SCHEMBL5656671 0.88 IKBKB (0.75) IKBKBCHUKCDK2BTKITK
SCHEMBL5659473 0.87 IKBKB (1.00) IKBKBCHUKCDK2BTKITK
SCHEMBL5659008 0.83 IKBKB (0.77) IKBKBCHUKCDK2BTKITK
SCHEMBL5657433 0.82 IKBKB (0.71) IKBKBCHUKCDK2BTKITK
SCHEMBL14589171 0.81 IKBKB (0.79) IKBKBCHUKCDK2BTKITK
SCHEMBL5655410 0.80 IKBKB (0.78) IKBKBCHUK
SCHEMBL5660299 0.79 IKBKB (0.73) IKBKBCHUKCDK2CCNE2CCNE1
SCHEMBL5658899 0.78 IKBKB (0.72) IKBKBCHUK
SCHEMBL14589172 0.78 IKBKB (0.71) IKBKBCHUKCDK2BTKITK
SCHEMBL14589177 0.77 IKBKB (1.00) IKBKBCHUK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed