SCHEMBL2281787

SCHEMBL2281787

Cc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.46
JAK2 O60674 11/20 0.46
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
BTK Q06187 1/20 0.35
NAMPT P43490 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
SCHEMBL2277557 0.96 JAK1 (0.50) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL2281422 0.88 JAK1 (0.41) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL2225448 0.86 JAK1 (0.43) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL9953393 0.86 JAK1 (0.46) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL10282010 0.86 JAK1 (0.46) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL2272276 0.86 JAK1 (0.61) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL26246807 0.85 MTOR (0.43) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL31305059 0.85 MTOR (0.43) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL2281459 0.85 JAK1 (0.44) JAK1JAK2CKS1BSKP1SKP2
SCHEMBL31601294 0.84 JAK1 (0.42) 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