SCHEMBL5657433

SCHEMBL5657433

CNc1nc2sc(NCc3ccccc3OC)nc2c2c1ncn2C

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.71
CHUK O15111 12/20 0.60
CDK2 P24941 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
IKBKE Q14164 1/20 0.47
YTHDC1 Q96MU7 1/20 0.46

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
SCHEMBL5659473 0.83 IKBKB (1.00) IKBKBCHUKCDK2BTKITK
SCHEMBL5658479 0.82 IKBKB (0.77) IKBKBCHUKCDK2BTKITK
SCHEMBL5656671 0.81 IKBKB (0.75) IKBKBCHUKCDK2BTKITK
SCHEMBL5657677 0.80 IKBKB (0.80) IKBKBCHUK
SCHEMBL14589194 0.80 IKBKB (0.61) IKBKBCHUKCDK2BTKITK
SCHEMBL14589485 0.79 IKBKB (0.70) IKBKBCHUKCDK2BTKITK
SCHEMBL5655410 0.79 IKBKB (0.78) IKBKBCHUK
SCHEMBL14589172 0.78 IKBKB (0.71) IKBKBCHUKCDK2BTKITK
SCHEMBL14589266 0.78 IKBKB (0.65) IKBKBCHUKCDK2BTKITK
SCHEMBL14589171 0.77 IKBKB (0.79) IKBKBCHUKCDK2BTKITK

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