SCHEMBL2275950

SCHEMBL2275950

COCCNC1CCC(n2c(C)nc3c(S(=O)(=O)c4ccccc4)nc4[nH]ccc4c32)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.41
JAK2 O60674 14/20 0.41
TYK2 P29597 7/20 0.35
JAK3 P52333 7/20 0.35
BRD4 O60885 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2276260 0.88 JAK1 (0.55) JAK1JAK2TYK2JAK3
SCHEMBL2281548 0.86 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL2280651 0.83 JAK1 (0.48) JAK1JAK2TYK2JAK3
SCHEMBL2273422 0.82 JAK1 (0.42) JAK1JAK2TYK2JAK3
SCHEMBL2281791 0.82 JAK1 (0.50) JAK1JAK2TYK2JAK3
SCHEMBL2277351 0.81 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2276754 0.81 JAK1 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL2274424 0.81 JAK1 (0.45) JAK1JAK2TYK2JAK3BRD4
SCHEMBL2281426 0.80 JAK1 (0.42) JAK1JAK2TYK2JAK3
SCHEMBL2227229 0.80 JAK1 (0.45) 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