SCHEMBL19970259

SCHEMBL19970259

CC(C)(C)OC(=O)NC1CCc2cc(F)c(B3OC(C)(C)C(C)(C)O3)c(F)c2C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
KDM4D Q6B0I6 3/20 0.33
EPHX2 P34913 1/20 0.33
DRD2 P14416 4/20 0.33
CTSK P43235 2/20 0.33
RORC P51449 1/20 0.32
BTK Q06187 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL19961241 0.83 BDKRB1 (0.38) USP30BACE1BACE2PRMT5WDR77
SCHEMBL19970261 0.81 DRD2 (0.33) DRD2
SCHEMBL19960760 0.80 BACE1 (0.33) USP30BACE1BACE2PRMT5WDR77
SCHEMBL19961239 0.80 BACE1 (0.37) USP30BACE1BACE2
SCHEMBL19949227 0.78 ROCK1 (0.31)
SCHEMBL19960730 0.77 GAA (0.38) USP30KDM4DEPHX2BTKBACE1
SCHEMBL19961244 0.77 BDKRB1 (0.37) USP30BACE1BACE2PRMT5WDR77
SCHEMBL4938767 0.76 USP30 (0.44) USP30EPHX2DRD2BACE1BACE2
SCHEMBL17549534 0.76 USP30 (0.44) USP30EPHX2DRD2BACE1BACE2
SCHEMBL19949203 0.74 ESR2 (0.47) USP30BACE1BACE2

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-2018049152-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed