SCHEMBL31723331

SCHEMBL31723331

O=C1NCCOc2cc(Br)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.41
GSK3B P49841 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
GRM5 P41594 2/20 0.34
NTRK1 P04629 4/20 0.33
ALK Q9UM73 3/20 0.33
JAK2 O60674 3/20 0.33
DYRK1A Q13627 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL15586751 1.00 FABP6 (0.41) FABP6GSK3BPDE3BPDE3AGRM5
SCHEMBL2669099 0.81 ALDH1A1 (0.41) FABP6GSK3BPDE3BPDE3AGRM5
SCHEMBL15586767 0.78 MAPK1 (0.38) FABP6GSK3BPDE3BPDE3AGRM5
SCHEMBL858890 0.77 GRM5 (0.54) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL23782777 0.76 MAOB (0.39) GSK3BGRM5NTRK1ALKJAK2
SCHEMBL21333463 0.75 ALPL (0.46) FABP6GSK3BNTRK1KDM4EPARP10
SCHEMBL30229269 0.74 FABP6 (0.40) FABP6GSK3BPDE3BPDE3AGRM5
SCHEMBL30229191 0.72 FABP6 (0.44) FABP6GSK3BPDE3BPDE3AGRM5
SCHEMBL24747492 0.71 TDP1 (0.38) GSK3BNTRK1ALKJAK2DYRK1A
SCHEMBL12078170 0.71 PARP10 (0.54) FABP6GSK3BPDE3BPDE3AADRA2A

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-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed