SCHEMBL2276095

SCHEMBL2276095

CC(=O)OC(C)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.42
JAK2 O60674 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 4/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR4 P51679 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL2280024 0.89 JAK1 (0.46) JAK1JAK2SMN1; SMN2HTR6
SCHEMBL2278249 0.85 JAK1 (0.43) JAK1JAK2SMN1; SMN2HTR6KMT2A
SCHEMBL2279733 0.83 JAK1 (0.60) JAK1JAK2SMN1; SMN2HTR6POLB
SCHEMBL2289409 0.83 JAK1 (0.46) JAK1JAK2HTR6
SCHEMBL2278047 0.82 JAK2 (0.44) JAK1JAK2SMN1; SMN2HTR6POLB
SCHEMBL2277491 0.82 JAK2 (0.46) JAK1JAK2SMN1; SMN2HTR6POLB
SCHEMBL2275404 0.82 JAK1 (0.45) JAK1JAK2SMN1; SMN2HTR6KMT2A
SCHEMBL2277746 0.82 JAK1 (0.45) JAK1JAK2SMN1; SMN2HTR6POLB
SCHEMBL2276558 0.82 JAK2 (0.44) JAK1JAK2SMN1; SMN2HTR6POLB
SCHEMBL2276561 0.82 JAK2 (0.44) JAK1JAK2SMN1; SMN2HTR6POLB

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