SCHEMBL20566871

SCHEMBL20566871

C=CCC(Nc1cc(F)cc(Cl)c1)C(=O)N(CC=C)[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
SLC6A9 P48067 6/20 0.34
SLC6A5 Q9Y345 4/20 0.34
GRM4 Q14833 1/20 0.34
F2 P00734 1/20 0.33
CCR5 P51681 2/20 0.32
TEC P42680 2/20 0.32
TXK P42681 2/20 0.32
ITK Q08881 2/20 0.32
BMX P51813 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
SCHEMBL1439865 1.00 BTK (0.37) BTKUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL9932890 0.88 STS (0.37) BTKUBE2MDCUN1D1
SCHEMBL1439999 0.83 GRM4 (0.39) BTKUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL1440003 0.83 GRM4 (0.39) BTKUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL22818580 0.83 BTK (0.35) BTKUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL20566873 0.72 TGM2 (0.43) CCR5
SCHEMBL1440097 0.72 TGM2 (0.43) CCR5
SCHEMBL1439945 0.72 TGM2 (0.43) CCR5
SCHEMBL1439320 0.72 GRM4 (0.39) GRM4
SCHEMBL1439322 0.72 GRM4 (0.39) GRM4

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-2473049-B1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2018-11-28 EP disclosed