SCHEMBL23779231

SCHEMBL23779231

[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1cccc(-c2cnn(C)n2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.55
STAT3 P40763 2/20 0.55
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
STAT1 P42224 1/20 0.55
JAK3 P52333 1/20 0.55
BMPR2 Q13873 1/20 0.55

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
SCHEMBL30078825 1.00 TYK2 (0.55) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30078887 0.89 TYK2 (0.56) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30079090 0.89 TYK2 (0.69) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30078995 0.89 TYK2 (0.68) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30079058 0.88 TYK2 (0.61) TYK2STAT3JAK2JAK1STAT1
SCHEMBL23779217 0.85 TYK2 (0.53) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30079676 0.85 TYK2 (0.53) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30079133 0.85 TYK2 (0.61) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30079027 0.84 TYK2 (0.67) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30227331 0.84 TYK2 (0.73) TYK2STAT3JAK2JAK1STAT1

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
EP-3873892-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CONDITIONS RELATED TO THE MODULATION OF IL-12, IL-23 AND/OR IFN-ALPHA Bristol-Myers Squibb Company (US) 2021-09-08 EP disclosed
CN-113227071-A Amide-substituted heterocyclic compounds for the treatment of disorders associated with the modulation of IL-12, IL-23 and/or IFN-alpha 百时美施贵宝公司 2021-08-06 CN disclosed