SCHEMBL17224965

SCHEMBL17224965

O=CCc1ncc(Br)cc1F

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
FYN P06241 1/20 0.30
RET P07949 1/20 0.30
MET P08581 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT1 P17948 1/20 0.30
LTK P29376 1/20 0.30

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
SCHEMBL1395992 0.81 AGBL2 (0.40)
SCHEMBL27858045 0.79 HTT (0.34) HTTKMT2AAURKADAPK3JAK2
SCHEMBL3950987 0.77 CYP11B1 (0.36)
SCHEMBL22230303 0.77 ADH1B (0.32) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL15544326 0.76 HTT (0.35) HTTKMT2AMETDYRK1A
SCHEMBL18069497 0.76 HTT (0.35) HTTKMT2AMETDYRK1A
SCHEMBL30581539 0.76 HTT (0.35) HTTKMT2AMETDYRK1A
SCHEMBL21591679 0.75 OPRK1 (0.35) KMT2AALDH1A1
SCHEMBL1577538 0.75 HTT (0.34) HTTKMT2AALDH1A1DYRK1A
SCHEMBL16693756 0.75 HTT (0.34) HTTKMT2AALDH1A1METDYRK1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308244-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 EP disclosed
WO-2022194781-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-22 WO disclosed
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
EP-3137459-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-03-08 EP disclosed
WO-2016115272-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2016-07-21 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
WO-2015165835-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-11-05 WO disclosed