SCHEMBL19976744

SCHEMBL19976744

CC(C)(O)CN/C(=N/C(=O)c1ccc(O)cc1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.45
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
MAP2K4 P45985 5/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.41
GSK3A P49840 2/20 0.41
PIK3CD O00329 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPK6 Q16659 1/20 0.40
CHEK1 O14757 1/20 0.40

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
SCHEMBL16752833 0.92 HDAC6 (0.45) GSK3BMAP2K4HDAC6CYP1A2MAPK1
SCHEMBL16769264 0.92 HDAC6 (0.45) GSK3BMAP2K4HDAC6CYP1A2MAPK1
SCHEMBL16752836 0.92 HDAC6 (0.45) GSK3BMAP2K4HDAC6CYP1A2MAPK1
SCHEMBL19976859 0.90 GSK3B (0.45) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL19976886 0.90 GSK3B (0.43) GSK3BMAP2K4HDAC6CYP1A2GSK3A
SCHEMBL19976747 0.87 GSK3B (0.45) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL19976745 0.86 GSK3B (0.45) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL19976787 0.86 HDAC6 (0.43) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL19976888 0.80 GSK3B (0.51) GSK3BFGFR1FGFR2MAP2K4HDAC6
SCHEMBL16752820 0.79 MAP2K4 (0.44) GSK3BFGFR1FGFR2FGFR3MAP2K4

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