SCHEMBL19976859

SCHEMBL19976859

CC(C)(O)CN/C(=N/C(=O)c1cccc(O)c1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.45
AAK1 Q2M2I8 1/20 0.41
GSK3A P49840 1/20 0.41
FGFR1 P11362 3/20 0.41
FGFR2 P21802 3/20 0.41
FGFR3 P22607 3/20 0.41
MAP2K4 P45985 5/20 0.40
CYP1A2 P05177 1/20 0.39
MAP2K7 O14733 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
FGFR4 P22455 1/20 0.37

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
SCHEMBL19976787 0.90 HDAC6 (0.43) GSK3BGSK3AFGFR1FGFR2FGFR3
SCHEMBL19976744 0.90 GSK3B (0.45) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL19976886 0.88 GSK3B (0.43) GSK3BGSK3AMAP2K4CYP1A2MAP2K7
SCHEMBL19976771 0.87 GSK3B (0.46) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL16752864 0.87 GSK3B (0.46) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL16752862 0.87 GSK3B (0.46) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL16769266 0.87 GSK3B (0.46) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL16752833 0.86 HDAC6 (0.45) GSK3BMAP2K4CYP1A2HDAC6
SCHEMBL16769264 0.86 HDAC6 (0.45) GSK3BMAP2K4CYP1A2HDAC6
SCHEMBL16752836 0.86 HDAC6 (0.45) GSK3BMAP2K4CYP1A2HDAC6

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