SCHEMBL19976858

SCHEMBL19976858

CCOCCN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
GSK3B P49841 6/20 0.44
MAP2K4 P45985 2/20 0.42
HDAC6 Q9UBN7 5/20 0.42
CYP1A2 P05177 2/20 0.41
MAPK6 Q16659 1/20 0.38
FGFR2 P21802 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR3 P22607 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
NTRK1 P04629 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
SCHEMBL19976764 0.92 GSK3B (0.48) MAPK1GSK3BMAP2K4HDAC6CYP1A2
SCHEMBL19976731 0.91 MAPK1 (0.42) MAPK1GSK3BHDAC6CYP1A2FGFR2
SCHEMBL19976882 0.91 MAPK1 (0.46) MAPK1GSK3BMAP2K4HDAC6CYP1A2
SCHEMBL19976812 0.90 GSK3B (0.51) MAPK1GSK3BMAP2K4HDAC6MAPK6
SCHEMBL19976741 0.89 MAPK1 (0.44) MAPK1GSK3BMAP2K4HDAC6CYP1A2
SCHEMBL19976828 0.86 GSK3B (0.49) MAPK1GSK3BMAP2K4HDAC6MAPK6
SCHEMBL19976815 0.86 GSK3B (0.44) MAPK1GSK3BMAP2K4HDAC6MAPK6
SCHEMBL19976886 0.86 GSK3B (0.43) MAPK1GSK3BMAP2K4HDAC6CYP1A2
SCHEMBL19976768 0.85 MAPK1 (0.38) MAPK1GSK3BHDAC6FGFR2FGFR1
SCHEMBL19976817 0.84 GSK3B (0.53) MAPK1GSK3BMAP2K4HDAC6FGFR2

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