SCHEMBL2277331

SCHEMBL2277331

CCOC(=O)C(C)c1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.47
JAK1 P23458 8/20 0.47
TYK2 P29597 5/20 0.47
JAK3 P52333 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR8 P51685 1/20 0.37

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
SCHEMBL2279700 0.94 JAK2 (0.48) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2276088 0.91 JAK2 (0.46) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2273329 0.87 JAK2 (0.47) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2276588 0.80 JAK1 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL2280027 0.78 JAK1 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL2276100 0.77 JAK1 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2274413 0.76 JAK2 (0.40) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2274090 0.76 JAK1 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL2272535 0.75 JAK1 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL2223799 0.75 JAK1 (0.56) JAK2JAK1TYK2JAK3

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