SCHEMBL17688913

SCHEMBL17688913

[2H]C([2H])([2H])NC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2cnn(C)c2)c1OC

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.67
▸ JAK1 P23458 12/20 0.67
▸ CYP2C19 P33261 1/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ STAT3 P40763 1/20 0.47

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
SCHEMBL15713764 0.94 TYK2 (0.75) TYK2JAK1KCNH2STAT3
SCHEMBL29684957 0.88 TYK2 (0.61) TYK2JAK1KCNH2
SCHEMBL24497990 0.88 TYK2 (0.61) TYK2JAK1KCNH2
SCHEMBL17688916 0.87 TYK2 (0.69) TYK2JAK1CYP2C19KCNH2
SCHEMBL17688915 0.87 TYK2 (0.59) TYK2JAK1CYP2C19KCNH2STAT3
SCHEMBL18102154 0.84 TYK2 (0.76) TYK2JAK1CYP2C19STAT3
SCHEMBL17688914 0.83 TYK2 (0.55) TYK2JAK1CYP2C19KCNH2STAT3
SCHEMBL15689431 0.82 TYK2 (0.61) TYK2JAK1CYP2C19KCNH2
SCHEMBL15713491 0.82 TYK2 (0.79) TYK2JAK1KCNH2STAT3
SCHEMBL15713588 0.81 TYK2 (0.77) TYK2JAK1KCNH2

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
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
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