SCHEMBL10282020

SCHEMBL10282020

CNc1nc2cnc3[nH]ccc3c2n(C2CCN(CCC#N)CC2)c1=O

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.74
JAK2 O60674 1/20 0.74

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
SCHEMBL9952743 0.89 JAK1 (0.80) JAK1JAK2
SCHEMBL10281980 0.88 JAK1 (0.57) JAK1JAK2
SCHEMBL9953315 0.88 JAK1 (0.74) JAK1JAK2
SCHEMBL9953104 0.87 JAK1 (0.76) JAK1JAK2
SCHEMBL10281496 0.87 JAK1 (0.78) JAK1JAK2
SCHEMBL9953440 0.87 JAK1 (0.73) JAK1JAK2
SCHEMBL10282019 0.87 JAK1 (0.78) JAK1JAK2
SCHEMBL2292816 0.85 JAK1 (1.00) JAK1JAK2
SCHEMBL2278208 0.84 JAK1 (0.79) JAK1JAK2
SCHEMBL2292973 0.83 JAK1 (0.81) JAK1JAK2

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-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