SCHEMBL2274747

SCHEMBL2274747

CCOC(=O)C1CCC(n2cnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
JAK1 P23458 4/20 0.44
CYP2C19 P33261 1/20 0.43
PKM P14618 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 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
SCHEMBL2276041 0.86 JAK1 (0.48) JAK1CYP2C19LMNAJAK2TYK2
SCHEMBL2223730 0.84 JAK1 (0.53) JAK1CYP2C19JAK2TYK2JAK3
SCHEMBL2273826 0.83 JAK1 (0.48) JAK1CYP2C19JAK2TYK2JAK3
SCHEMBL2273246 0.82 JAK1 (0.52) JAK1CYP2C19JAK2TYK2JAK3
SCHEMBL2226057 0.82 JAK1 (0.51) JAK1CYP2C19JAK2TYK2JAK3
SCHEMBL2276333 0.82 JAK1 (0.52) JAK1CYP2C19PKMJAK2TYK2
SCHEMBL2279026 0.82 JAK1 (0.52) KMT2AJAK1CYP2C19ALDH1A1JAK2
SCHEMBL2276300 0.81 JAK1 (0.49) JAK1CYP2C19PKMJAK2TYK2
SCHEMBL2280883 0.81 HTT (0.50) KMT2AMEN1JAK1CYP2C19ALDH1A1
SCHEMBL2273234 0.81 JAK1 (0.48) JAK1CYP2C19JAK2TYK2JAK3

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