SCHEMBL2365096

SCHEMBL2365096

CCN1CCC(n2c(CO)nc3cnc4[nH]ccc4c32)C(F)(F)C1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.75
JAK2 O60674 9/20 0.58
JAK3 P52333 2/20 0.53

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
SCHEMBL2273721 0.89 JAK1 (0.70) JAK1JAK2JAK3
SCHEMBL14643459 0.89 JAK1 (0.60) JAK1JAK2JAK3
SCHEMBL12385511 0.88 JAK1 (0.76) JAK1JAK2JAK3
SCHEMBL2275055 0.84 JAK1 (0.63) JAK1JAK2JAK3
SCHEMBL27432020 0.82 JAK1 (0.69) JAK1JAK2JAK3
SCHEMBL12385512 0.80 JAK1 (0.69) JAK1JAK2JAK3
SCHEMBL2295300 0.79 JAK1 (0.64) JAK1JAK2JAK3
SCHEMBL2364966 0.78 JAK1 (0.56) JAK1JAK2JAK3
SCHEMBL2292584 0.77 JAK1 (0.74) JAK1JAK2JAK3
SCHEMBL2275488 0.77 JAK1 (0.73) JAK1JAK2JAK3

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