SCHEMBL2276352

SCHEMBL2276352

COC(=O)N(C)C1CCC(n2c(CO)nc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.67
JAK2 O60674 12/20 0.66
JAK3 P52333 10/20 0.62
TYK2 P29597 8/20 0.55

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
SCHEMBL12385601 1.00 JAK1 (0.67) JAK1JAK2JAK3TYK2
SCHEMBL12385661 0.84 JAK1 (0.75) JAK1JAK2JAK3TYK2
SCHEMBL2277915 0.84 JAK1 (0.75) JAK1JAK2JAK3TYK2
SCHEMBL2286031 0.83 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL12385591 0.83 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL2276623 0.82 JAK3 (0.74) JAK1JAK2JAK3TYK2
SCHEMBL12385664 0.82 JAK3 (0.74) JAK1JAK2JAK3TYK2
SCHEMBL2274686 0.81 JAK1 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL2226290 0.80 JAK1 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL12385685 0.80 JAK1 (0.72) JAK1JAK2JAK3TYK2

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