SCHEMBL2226757

SCHEMBL2226757

CC(C)(C)OC(=O)N1CCC(n2c(C=NO)nc3c(S(=O)(=O)c4ccccc4)nc4[nH]ccc4c32)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.44
JAK2 O60674 5/20 0.44
TYK2 P29597 4/20 0.44
JAK3 P52333 2/20 0.44
STS P08842 3/20 0.41
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
SFRP1 Q8N474 1/20 0.37
CCR8 P51685 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL2274401 0.92 JAK1 (0.46) JAK1JAK2TYK2JAK3STS
SCHEMBL2276488 0.88 JAK1 (0.46) JAK1JAK2TYK2JAK3STS
SCHEMBL2277282 0.87 JAK1 (0.44) JAK1JAK2TYK2JAK3STS
SCHEMBL2278106 0.86 JAK1 (0.45) JAK1JAK2TYK2JAK3STS
SCHEMBL2276588 0.86 JAK1 (0.45) JAK1JAK2TYK2JAK3STS
SCHEMBL2277601 0.86 JAK1 (0.45) JAK1JAK2TYK2JAK3STS
SCHEMBL2284925 0.86 JAK1 (0.44) JAK1JAK2TYK2JAK3STS
SCHEMBL2278902 0.86 JAK1 (0.44) JAK1JAK2TYK2JAK3STS
SCHEMBL2278010 0.85 JAK1 (0.44) JAK1JAK2TYK2JAK3STS
SCHEMBL2277179 0.84 JAK1 (0.43) JAK1JAK2TYK2JAK3STS

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