SCHEMBL19976771

SCHEMBL19976771

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.46
AAK1 Q2M2I8 3/20 0.44
GSK3A P49840 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
MAP2K4 P45985 6/20 0.43
HDAC6 Q9UBN7 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAP2K7 O14733 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPK6 Q16659 1/20 0.38

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
SCHEMBL19976820 0.90 HDAC6 (0.46) GSK3BGSK3AMAP2K4HDAC6CYP1A2
SCHEMBL19976747 0.89 GSK3B (0.45) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL19976859 0.87 GSK3B (0.45) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL16769266 0.84 GSK3B (0.46) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL16752862 0.84 GSK3B (0.46) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL16752864 0.84 GSK3B (0.46) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL19976765 0.79 NTRK1 (0.41) GSK3BGSK3AMAP2K4HDAC6CYP1A2
SCHEMBL18558410 0.78 CA12 (0.37) HDAC6ANO1
SCHEMBL19976730 0.78 HDAC6 (0.41) GSK3BGSK3AFGFR1FGFR2FGFR3
SCHEMBL19976787 0.78 HDAC6 (0.43) GSK3BGSK3AFGFR1FGFR2FGFR3

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