SCHEMBL19976736

SCHEMBL19976736

CC(C)(C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.44
MAPK1 P28482 3/20 0.44
MAPK6 Q16659 3/20 0.44
MAPKAPK3 Q16644 2/20 0.44
TRPA1 O75762 4/20 0.44
GSK3B P49841 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
JAK2 O60674 2/20 0.41
FADS1 O60427 1/20 0.40
MAPK8 P45983 2/20 0.38
MAPK10 P53779 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK5 Q8IW41 2/20 0.38
NTRK1 P04629 3/20 0.37
AURKB Q96GD4 2/20 0.36
PLK4 O00444 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL19976725 0.93 GSK3B (0.52) MAP2K4MAPK1MAPK6MAPKAPK3TRPA1
SCHEMBL19976765 0.90 NTRK1 (0.41) MAP2K4GSK3BHDAC6JAK2FADS1
SCHEMBL19976800 0.88 GSK3B (0.43) MAP2K4MAPK1MAPK6MAPKAPK3TRPA1
SCHEMBL19976730 0.87 HDAC6 (0.41) MAPK1GSK3BHDAC6JAK2FADS1
SCHEMBL19976854 0.86 GSK3B (0.42) MAP2K4MAPK1MAPK6MAPKAPK3TRPA1
SCHEMBL19976754 0.85 HDAC6 (0.52) MAP2K4MAPK1MAPK6TRPA1GSK3B
SCHEMBL19976815 0.83 GSK3B (0.44) MAP2K4MAPK1MAPK6MAPKAPK3TRPA1
SCHEMBL19976762 0.82 MAP2K4 (0.40) MAP2K4MAPK1MAPK6MAPKAPK3TRPA1
SCHEMBL19976804 0.81 TRPA1 (0.37) TRPA1GSK3BHDAC6JAK2MAPK8
SCHEMBL19976769 0.81 GSK3B (0.51) MAP2K4MAPK1MAPK6TRPA1GSK3B

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
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed