SCHEMBL2276858

SCHEMBL2276858

COC(=O)C1CCC(n2c(CO)nc3c(S(=O)(=O)c4ccccc4)nc4[nH]ccc4c32)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.41
JAK2 O60674 11/20 0.41
JAK3 P52333 11/20 0.40
TYK2 P29597 9/20 0.40
BRD4 O60885 1/20 0.36
CREBBP Q92793 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
SCHEMBL2281854 0.90 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2274424 0.90 JAK1 (0.45) JAK1JAK2JAK3TYK2BRD4
SCHEMBL2269224 0.89 JAK1 (0.49) JAK1JAK2JAK3TYK2
SCHEMBL2276182 0.88 JAK3 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2275276 0.87 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2279226 0.87 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2281926 0.87 JAK1 (0.46) JAK1JAK2JAK3TYK2
SCHEMBL2275147 0.87 JAK1 (0.55) JAK1JAK2JAK3TYK2
SCHEMBL2272880 0.86 JAK1 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL2269359 0.84 JAK3 (0.59) 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