SCHEMBL2274693

SCHEMBL2274693

CC(C)(C)OC(=O)N1CCC(n2c(CC#N)nc3c(S(=O)(=O)c4ccccc4)nc4[nH]ccc4c32)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.43
JAK1 P23458 16/20 0.43
TYK2 P29597 14/20 0.43
JAK3 P52333 14/20 0.43
STS P08842 1/20 0.41

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
SCHEMBL2277601 0.91 JAK1 (0.45) JAK2JAK1TYK2JAK3STS
SCHEMBL2277282 0.90 JAK1 (0.44) JAK2JAK1TYK2JAK3STS
SCHEMBL2278010 0.90 JAK1 (0.44) JAK2JAK1TYK2JAK3STS
SCHEMBL2278902 0.89 JAK1 (0.44) JAK2JAK1TYK2JAK3STS
SCHEMBL2272535 0.88 JAK1 (0.45) JAK2JAK1TYK2JAK3STS
SCHEMBL2273716 0.88 JAK1 (0.43) JAK2JAK1TYK2JAK3STS
SCHEMBL2275937 0.88 JAK1 (0.46) JAK2JAK1TYK2JAK3STS
SCHEMBL2277179 0.88 JAK1 (0.43) JAK2JAK1TYK2JAK3STS
SCHEMBL2272935 0.86 JAK1 (0.41) JAK2JAK1TYK2JAK3STS
SCHEMBL2276488 0.86 JAK1 (0.46) JAK2JAK1TYK2JAK3STS

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