SCHEMBL19207591

SCHEMBL19207591

CC(C)(C)OC(=O)NC1COc2cccnc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
RIPK1 Q13546 12/20 0.53
EPHX2 P34913 1/20 0.44
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
AKT1 P31749 2/20 0.38

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
SCHEMBL19207593 1.00 GAA (0.54) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL29595441 1.00 GAA (0.54) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL8273799 0.83 EPHX2 (0.49) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL29619167 0.83 EPHX2 (0.49) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL3485743 0.83 GAA (0.57) GAARIPK1EPHX2
SCHEMBL1561665 0.83 GAA (0.57) GAARIPK1EPHX2
SCHEMBL1561667 0.83 GAA (0.57) GAARIPK1EPHX2
SCHEMBL23337499 0.83 GAA (0.45) GAARIPK1EPHX2
SCHEMBL23845808 0.83 GAA (0.45) GAARIPK1EPHX2
SCHEMBL23337548 0.83 GAA (0.45) GAARIPK1EPHX2

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-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed