SCHEMBL2280042

SCHEMBL2280042

COCC1CCC(n2c(CNS(C)(=O)=O)nc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.78
JAK2 O60674 8/20 0.64
TYK2 P29597 8/20 0.64
JAK3 P52333 8/20 0.64

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
SCHEMBL12519101 1.00 JAK1 (0.78) JAK1JAK2TYK2JAK3
SCHEMBL12424594 0.92 JAK1 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL2228071 0.87 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL2274872 0.86 JAK1 (0.85) JAK1JAK2TYK2JAK3
SCHEMBL12385664 0.85 JAK3 (0.74) JAK1JAK2TYK2JAK3
SCHEMBL2276623 0.85 JAK3 (0.74) JAK1JAK2TYK2JAK3
SCHEMBL14643434 0.82 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL2365072 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL12385707 0.80 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL2277085 0.80 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
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed