SCHEMBL2275434

SCHEMBL2275434

N#CCC(=O)N1CCCC(n2c(CCO)nc3cnc4[nH]ccc4c32)C1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.73
JAK2 O60674 15/20 0.68
JAK3 P52333 15/20 0.68
TYK2 P29597 12/20 0.68
MAP3K19 Q56UN5 1/20 0.59
BMP2K Q9NSY1 1/20 0.59

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
SCHEMBL2275430 1.00 JAK1 (0.73) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL2224025 0.90 JAK1 (0.73) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL12385278 0.87 JAK1 (0.79) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL14603798 0.86 JAK1 (0.54) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL2292124 0.85 JAK1 (0.73) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL2292129 0.85 JAK1 (0.73) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL9953450 0.85 JAK2 (0.75) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL2276648 0.85 JAK1 (1.00) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL12385691 0.85 JAK1 (1.00) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL2276643 0.85 JAK1 (1.00) JAK1JAK2JAK3TYK2MAP3K19

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