SCHEMBL2274818

SCHEMBL2274818

O=C(NC1CCC(n2cnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.35
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 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
SCHEMBL2280883 0.89 HTT (0.50) JAK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL2276033 0.86 JAK1 (0.53) JAK1SMN1; SMN2HTTMAOBHTR6
SCHEMBL2273597 0.84 JAK1 (0.46) JAK1HTR6
SCHEMBL2273246 0.83 JAK1 (0.52) JAK1
SCHEMBL2269256 0.82 JAK1 (0.46) JAK1
SCHEMBL2275305 0.82 JAK1 (0.61) JAK1MAOBHTR6KMT2A
SCHEMBL13823487 0.81 JAK1 (0.49) JAK1
SCHEMBL2223730 0.81 JAK1 (0.53) JAK1
SCHEMBL2278824 0.81 JAK1 (0.49) JAK1HTR6
SCHEMBL2276041 0.80 JAK1 (0.48) JAK1SMN1; SMN2HTR6HTR1AHTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed