SCHEMBL9953424

SCHEMBL9953424

O=c1cnc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.72
JAK2 O60674 14/20 0.72
TYK2 P29597 10/20 0.70
JAK3 P52333 10/20 0.70

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
SCHEMBL10281519 0.91 JAK1 (0.60) JAK1JAK2TYK2JAK3
SCHEMBL10281488 0.89 JAK2 (0.72) JAK1JAK2TYK2JAK3
SCHEMBL10281984 0.86 JAK1 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL2225210 0.84 JAK2 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL10281979 0.84 JAK1 (0.55) JAK1JAK2TYK2JAK3
SCHEMBL10281513 0.83 JAK1 (0.70) JAK1JAK2TYK2JAK3
SCHEMBL12384934 0.82 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL2274296 0.82 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL12385332 0.82 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL12385315 0.82 JAK1 (0.75) JAK1JAK2TYK2JAK3

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
WO-2012085176-A1 TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-28 WO disclosed
WO-2012085176-A1 TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-28 WO disclosed