SCHEMBL25035697

SCHEMBL25035697

CO/C=C/c1c(N)ncnc1-c1cnn(/C(=C\C#N)C2CCCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.32
JAK3 P52333 10/20 0.32
JAK1 P23458 9/20 0.32
TYK2 P29597 2/20 0.30

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
SCHEMBL28850992 0.80 JAK3 (0.33) JAK2JAK3JAK1TYK2
SCHEMBL22325300 0.80 JAK3 (0.33) JAK2JAK3JAK1TYK2
SCHEMBL29950366 0.80 JAK3 (0.33) JAK2JAK3JAK1TYK2
SCHEMBL25035690 0.74 JAK3 (0.40) JAK2JAK3JAK1TYK2
SCHEMBL25035696 0.74 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL31419838 0.74 JAK2 (0.55) JAK2JAK3JAK1TYK2
SCHEMBL13678272 0.72 JAK2 (0.55) JAK2JAK3JAK1TYK2
Phosphoric Acid SCHEMBL29378441 0.70 JAK2 (0.59) JAK2JAK3JAK1TYK2
SCHEMBL24258064 0.70 ALDH1A1 (0.33) JAK2JAK3JAK1TYK2
SCHEMBL22325267 0.70 JAK2 (0.31) JAK2JAK3JAK1TYK2

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
WO-2023018954-A1 TREATMENT OF JAK-INHIBITION-RESPONSIVE DISORDERS WITH PRODRUGS OF JAK INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2023-02-16 WO disclosed