SCHEMBL29439716

SCHEMBL29439716

CC1(C)OB(c2cnn(CCCC#N)c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
ESR2 Q92731 1/20 0.37
JAK2 O60674 8/20 0.35
JAK1 P23458 8/20 0.35
JAK3 P52333 8/20 0.35
LPL P06858 7/20 0.33
LIPG Q9Y5X9 7/20 0.33
TYK2 P29597 4/20 0.32
STAT3 P40763 4/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL520251 0.92 FFAR1 (0.56) FFAR1ESR2JAK2JAK1JAK3
SCHEMBL17247560 0.82 FFAR1 (0.58) FFAR1LPLLIPG
SCHEMBL2593844 0.82 FFAR1 (0.58) FFAR1ESR2LPLLIPG
SCHEMBL1854359 0.81 FFAR1 (0.61) FFAR1JAK2JAK1JAK3LPL
SCHEMBL28398484 0.81 FFAR1 (0.57) FFAR1LPLLIPG
SCHEMBL23812347 0.80 FFAR1 (0.56) FFAR1LPLLIPG
SCHEMBL9281960 0.80 FFAR1 (0.59) FFAR1JAK2JAK1JAK3LPL
SCHEMBL22748460 0.80 FFAR1 (0.56) FFAR1LPLLIPG
SCHEMBL1331340 0.79 FFAR1 (0.61) FFAR1LPLLIPG
SCHEMBL9280646 0.79 FFAR1 (0.61) FFAR1ESR2LPLLIPG

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-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed