SCHEMBL2275251

SCHEMBL2275251

CS(=O)(=O)NCCc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(CCC#N)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.67
JAK2 O60674 2/20 0.44
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL2224641 0.90 JAK1 (0.60) JAK1JAK2TYK2JAK3
SCHEMBL2224781 0.89 JAK1 (0.51) JAK1JAK2TYK2JAK3
SCHEMBL2224676 0.87 JAK1 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL2271047 0.87 JAK1 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL2271006 0.85 JAK1 (0.60) JAK1JAK2TYK2JAK3
SCHEMBL2274113 0.85 JAK1 (0.52) JAK1JAK2TYK2JAK3
Piperidine SCHEMBL2274977 0.84 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL2363532 0.84 JAK1 (0.51) JAK1JAK2TYK2JAK3
SCHEMBL2225509 0.83 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL2273151 0.83 JAK1 (0.49) 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