SCHEMBL2273029

SCHEMBL2273029

OCCc1nc2cnc3[nH]ccc3c2n1C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.69
JAK2 O60674 13/20 0.69
JAK3 P52333 12/20 0.65
TYK2 P29597 8/20 0.65

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
SCHEMBL2273024 1.00 JAK1 (0.69) JAK1JAK2JAK3TYK2
SCHEMBL12385001 0.89 JAK1 (0.73) JAK1JAK2JAK3TYK2
SCHEMBL12385240 0.86 JAK2 (0.79) JAK1JAK2JAK3TYK2
SCHEMBL12385299 0.83 JAK2 (0.67) JAK1JAK2JAK3TYK2
SCHEMBL10281488 0.82 JAK2 (0.72) JAK1JAK2JAK3TYK2
SCHEMBL2274296 0.82 JAK1 (0.76) JAK1JAK2JAK3TYK2
SCHEMBL2278570 0.81 JAK1 (0.63) JAK1JAK2JAK3TYK2
SCHEMBL2271356 0.80 JAK2 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL12384916 0.79 JAK1 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL2274489 0.79 JAK1 (1.00) JAK1JAK2JAK3TYK2

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