SCHEMBL19014178

SCHEMBL19014178

CN1CC2CCC(C1)N2C(=O)C1CC(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.36
JAK1 P23458 6/20 0.36
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL20682197 0.86 JAK2 (0.33) JAK2JAK1CNR1
SCHEMBL19014087 0.85 JAK2 (0.33) JAK2JAK1
SCHEMBL20682336 0.84 JAK2 (0.36) JAK2JAK1
SCHEMBL13265396 0.80 MAPT (0.43) JAK2JAK1TYK2JAK3CNR1
SCHEMBL19013704 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL19014064 0.77 JAK2 (0.36) JAK2JAK1
SCHEMBL19013652 0.75 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL25074013 0.75 ALDH1A1 (0.41) JAK2JAK1TYK2JAK3CNR1
SCHEMBL19014312 0.75 JAK2 (0.45) JAK2JAK1TYK2JAK3CNR1
SCHEMBL10196653 0.74 HSD11B1 (0.33) JAK2JAK1TYK2JAK3

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-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed