SCHEMBL2275147

SCHEMBL2275147

O=S(=O)(c1ccccc1)c1nc2[nH]ccc2c2c1nc(CO)n2C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.55
JAK2 O60674 11/20 0.55
JAK3 P52333 7/20 0.42
TYK2 P29597 3/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
DNMT1 P26358 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
PLEC Q15149 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AURKA O14965 2/20 0.39
PRKCA P17252 2/20 0.39
KDR P35968 2/20 0.39

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
SCHEMBL2271092 0.91 JAK1 (0.45) JAK1JAK2JAK3TYK2KDM4E
SCHEMBL2275276 0.89 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2279226 0.89 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2281854 0.88 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2269359 0.88 JAK3 (0.59) JAK1JAK2JAK3TYK2
SCHEMBL2277749 0.88 JAK1 (0.49) JAK1JAK2JAK3TYK2KMT2A
SCHEMBL2276182 0.87 JAK3 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2276858 0.87 JAK1 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL2278576 0.86 JAK1 (0.61) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2269224 0.85 JAK1 (0.49) 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