SCHEMBL2275305

SCHEMBL2275305

CC(C)(C)OC(=O)NC1CCC(n2cnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.61
JAK2 O60674 3/20 0.44
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HTR6 P50406 2/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
NAMPT P43490 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR5 P51681 1/20 0.37
BCHE P06276 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
SCHEMBL2272276 0.96 JAK1 (0.61) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL10282010 0.88 JAK1 (0.46) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL9953393 0.88 JAK1 (0.46) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL30622213 0.86 JAK1 (0.52) JAK1JAK2TYK2JAK3NAMPT
SCHEMBL28621769 0.86 JAK1 (0.52) JAK1JAK2TYK2JAK3NAMPT
SCHEMBL30622180 0.86 JAK1 (0.52) JAK1JAK2TYK2JAK3NAMPT
SCHEMBL28634235 0.86 JAK1 (0.52) JAK1JAK2TYK2JAK3NAMPT
SCHEMBL2273597 0.86 JAK1 (0.46) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2281459 0.86 JAK1 (0.44) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL2277557 0.86 JAK1 (0.50) JAK1JAK2CKS1BSKP1SKP2

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