Sugi Predict

Sugi Predict / Compounds / SCHEMBL2278742

SCHEMBL2278742

SCHEMBL2278742

CC(=O)OCc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCC(NC=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.40
▸ JAK2 O60674 14/20 0.40
▸ TYK2 P29597 13/20 0.40
▸ JAK3 P52333 13/20 0.40
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL2275951 0.88 JAK1 (0.40) JAK1JAK2TYK2JAK3
SCHEMBL2274434 0.87 JAK2 (0.43) JAK1JAK2TYK2JAK3
SCHEMBL2278249 0.84 JAK1 (0.43) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2276746 0.84 JAK2 (0.46) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2279559 0.84 JAK2 (0.38) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2272526 0.82 HTR6 (0.46) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2277664 0.82 JAK1 (0.45) JAK1JAK2TYK2JAK3
SCHEMBL2279223 0.80 JAK1 (0.42) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2269216 0.80 JAK1 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL2276856 0.78 JAK1 (0.41) JAK1JAK2TYK2JAK3

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