SCHEMBL2284404

SCHEMBL2284404

C[C@@H](O)c1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.48
JAK2 O60674 9/20 0.46
TYK2 P29597 6/20 0.40
JAK3 P52333 4/20 0.40
BTK Q06187 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL2281009 0.96 JAK1 (0.43) JAK1JAK2TYK2JAK3
SCHEMBL2284925 0.91 JAK1 (0.44) JAK1JAK2TYK2JAK3
SCHEMBL2276588 0.86 JAK1 (0.45) JAK1JAK2TYK2JAK3
SCHEMBL2281892 0.84 JAK1 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL2282949 0.84 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL2223799 0.84 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL2282844 0.83 JAK1 (0.43) JAK1JAK2TYK2JAK3
SCHEMBL2274431 0.81 JAK1 (0.46) JAK1JAK2TYK2JAK3
SCHEMBL2280484 0.80 JAK1 (0.39) JAK1JAK2TYK2JAK3
SCHEMBL2278771 0.80 JAK1 (0.45) JAK1JAK2TYK2JAK3BTK

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