SCHEMBL10281982

SCHEMBL10281982

O=C(CCC(F)(F)F)N[C@H]1CC[C@H](n2c(=O)cnc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.56
JAK2 O60674 16/20 0.56
TYK2 P29597 15/20 0.56
JAK3 P52333 15/20 0.56

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
SCHEMBL10281990 0.92 JAK1 (0.55) JAK1JAK2TYK2JAK3
SCHEMBL10281515 0.86 JAK1 (0.58) JAK1JAK2TYK2JAK3
SCHEMBL10281485 0.86 JAK1 (0.55) JAK1JAK2TYK2JAK3
SCHEMBL10282021 0.86 JAK1 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL10281514 0.84 JAK1 (0.60) JAK1JAK2TYK2JAK3
SCHEMBL10281521 0.84 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL10281503 0.84 JAK1 (0.74) JAK1JAK2TYK2JAK3
SCHEMBL10281522 0.83 JAK1 (0.56) JAK1JAK2JAK3
SCHEMBL10281517 0.82 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL2293926 0.82 JAK1 (0.72) 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