SCHEMBL19976747

SCHEMBL19976747

CC(C)(C)N/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 7/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
MAP2K4 P45985 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
GSK3A P49840 2/20 0.43
PIK3CD O00329 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
MAPK1 P28482 1/20 0.42
MAPK6 Q16659 1/20 0.42
CHEK1 O14757 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19976771 0.89 GSK3B (0.46) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL19976744 0.87 GSK3B (0.45) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL19976820 0.85 HDAC6 (0.46) GSK3BMAP2K4HDAC6GSK3ACYP1A2
SCHEMBL19976745 0.83 GSK3B (0.45) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL19976765 0.81 NTRK1 (0.41) GSK3BMAP2K4HDAC6GSK3APIM1
SCHEMBL16752823 0.81 MAP2K4 (0.44) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL16752817 0.81 MAP2K4 (0.44) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL16752820 0.81 MAP2K4 (0.44) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL16769269 0.81 MAP2K4 (0.44) GSK3BFGFR1FGFR2FGFR3MAP2K4
SCHEMBL16675964 0.79 GSK3B (0.49) GSK3BHDAC6GSK3APIK3CDPIM1

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