SCHEMBL15713846

SCHEMBL15713846

CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2nc[nH]n2)c1OC

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.74
▸ JAK1 P23458 18/20 0.74
▸ KCNH2 Q12809 3/20 0.56
▸ STAT3 P40763 1/20 0.52

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
SCHEMBL15713841 0.85 TYK2 (0.80) TYK2JAK1KCNH2STAT3
SCHEMBL15713570 0.85 TYK2 (0.68) TYK2JAK1KCNH2
SCHEMBL15713485 0.84 TYK2 (0.69) TYK2JAK1KCNH2
SCHEMBL15713491 0.83 TYK2 (0.79) TYK2JAK1KCNH2STAT3
SCHEMBL15713839 0.83 TYK2 (0.79) TYK2JAK1KCNH2STAT3
SCHEMBL15713580 0.83 TYK2 (0.81) TYK2JAK1KCNH2STAT3
SCHEMBL17688922 0.83 TYK2 (0.69) TYK2JAK1KCNH2
SCHEMBL15714010 0.83 TYK2 (0.75) TYK2JAK1KCNH2
SCHEMBL15713764 0.82 TYK2 (0.75) TYK2JAK1KCNH2STAT3
SCHEMBL15713489 0.82 TYK2 (0.76) TYK2JAK1KCNH2STAT3

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-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 — — US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 — — US disclosed
WO-2014074660-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 — — WO disclosed
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