SCHEMBL10281979

SCHEMBL10281979

NCCN1CCC(n2c(=O)cnc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.55
JAK2 O60674 5/20 0.55
MTOR P42345 1/20 0.50
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49

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
SCHEMBL10281522 0.87 JAK1 (0.56) JAK1JAK2JAK3
SCHEMBL9953870 0.87 JAK1 (0.73) JAK1JAK2
SCHEMBL10281513 0.84 JAK1 (0.70) JAK1JAK2TYK2JAK3
SCHEMBL10281994 0.84 JAK1 (0.61) JAK1JAK2
SCHEMBL9953424 0.84 JAK1 (0.72) JAK1JAK2TYK2JAK3
SCHEMBL10281983 0.83 JAK1 (0.60) JAK1JAK2
SCHEMBL9953151 0.83 JAK2 (0.70) JAK1JAK2TYK2JAK3
SCHEMBL10281980 0.82 JAK1 (0.57) JAK1JAK2
SCHEMBL12518783 0.82 JAK1 (0.62) JAK1JAK2
SCHEMBL10281500 0.82 JAK1 (0.55) 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 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