SCHEMBL14589474

SCHEMBL14589474

CNc1nc2sc(-c3cccc(SC)c3)nc2c2c1ncn2C

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.77
CHUK O15111 13/20 0.72
CDK2 P24941 1/20 0.64
BTK Q06187 1/20 0.64
ITK Q08881 1/20 0.64
IKBKE Q14164 1/20 0.64
JAK2 O60674 1/20 0.53
TYK2 P29597 1/20 0.53

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
SCHEMBL14589481 0.87 IKBKB (1.00) IKBKBCHUKCDK2BTKITK
SCHEMBL14589486 0.85 IKBKB (0.76) IKBKBCHUKCDK2BTKITK
SCHEMBL14589479 0.85 IKBKB (0.76) IKBKBCHUKCDK2BTKITK
SCHEMBL5657205 0.84 IKBKB (1.00) IKBKBCHUKCDK2BTKITK
SCHEMBL14589408 0.84 IKBKB (0.74) IKBKBCHUKCDK2BTKITK
SCHEMBL6826637 0.82 IKBKB (0.71) IKBKBCHUKCDK2BTKITK
SCHEMBL5658426 0.82 IKBKB (0.71) IKBKBCHUKCDK2BTKITK
SCHEMBL5657089 0.82 IKBKB (0.74) IKBKBCHUKCDK2BTKITK
SCHEMBL14589475 0.82 IKBKB (0.71) IKBKBCHUKCDK2BTKITK
SCHEMBL5659042 0.82 IKBKB (0.77) 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 2 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