SCHEMBL2274413

SCHEMBL2274413

CC(=O)N1CCC(n2c(C(F)(F)CNC(=O)OCc3ccccc3)nc3c(S(=O)(=O)c4ccccc4)nc4[nH]ccc4c32)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.40
JAK1 P23458 13/20 0.40
TYK2 P29597 10/20 0.40
JAK3 P52333 8/20 0.40
HTT P42858 1/20 0.36
PREP P48147 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2278420 0.87 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL2271658 0.83 JAK1 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL2279700 0.78 JAK2 (0.48) JAK2JAK1TYK2JAK3HTT
SCHEMBL2276088 0.77 JAK2 (0.46) JAK2JAK1TYK2JAK3HTT
SCHEMBL2273329 0.77 JAK2 (0.47) JAK2JAK1TYK2JAK3HTT
SCHEMBL2277331 0.76 JAK2 (0.47) JAK2JAK1TYK2JAK3HTT
SCHEMBL2274405 0.76 HTT (0.35) JAK2JAK1TYK2JAK3HTT
SCHEMBL2272535 0.75 JAK1 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL2277179 0.74 JAK1 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL2276488 0.74 JAK1 (0.46) JAK2JAK1TYK2JAK3

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