SCHEMBL18925565

SCHEMBL18925565

C=C(N[C@@H]1CCCC(F)(F)C1)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.33
GAA P10253 1/20 0.33
MAPK8 P45983 1/20 0.32
EPHX1 P07099 2/20 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
SCHEMBL13961431 0.82 BTK (0.52) BTKGAAEPHX1
SCHEMBL18925569 0.82 BTK (0.52) BTKGAAEPHX1
SCHEMBL18928233 0.82 BTK (0.52) BTKGAAEPHX1
SCHEMBL21604197 0.77 GAA (0.50) BTKGAAEPHX1
SCHEMBL2544844 0.72 BTK (0.48) BTKGAAEPHX1
SCHEMBL1951353 0.72 BTK (0.48) BTKGAAEPHX1
SCHEMBL19790500 0.71 BTK (0.39) BTKGAAMAPK8EPHX1
SCHEMBL5027043 0.70 MAPK8 (0.30) MAPK8
SCHEMBL21166035 0.70 IDH1 (0.31) MAPK8
SCHEMBL20315450 0.70 HRH3 (0.35)

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
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed