SCHEMBL19976741

SCHEMBL19976741

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
GSK3B P49841 8/20 0.43
HDAC6 Q9UBN7 3/20 0.42
FGFR2 P21802 4/20 0.42
FGFR3 P22607 4/20 0.42
FGFR1 P11362 3/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
FGFR4 P22455 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP1A2 P05177 2/20 0.40
GSK3A P49840 1/20 0.39
MAP2K4 P45985 2/20 0.39

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
SCHEMBL19976882 0.91 MAPK1 (0.46) MAPK1GSK3BHDAC6HDAC1HDAC2
SCHEMBL19976858 0.89 MAPK1 (0.46) MAPK1GSK3BHDAC6FGFR2FGFR3
SCHEMBL19976764 0.86 GSK3B (0.48) MAPK1GSK3BHDAC6FGFR2FGFR3
SCHEMBL19976787 0.86 HDAC6 (0.43) GSK3BHDAC6FGFR2FGFR3FGFR1
SCHEMBL19976821 0.85 HDAC6 (0.44) GSK3BHDAC6FGFR2FGFR3FGFR1
SCHEMBL19976817 0.85 GSK3B (0.53) MAPK1GSK3BHDAC6FGFR2FGFR3
SCHEMBL19976820 0.83 HDAC6 (0.46) GSK3BHDAC6MAPK8MAPK10HDAC1
SCHEMBL19976731 0.82 MAPK1 (0.42) MAPK1GSK3BHDAC6FGFR2FGFR3
SCHEMBL19976763 0.80 GSK3B (0.52) MAPK1GSK3BHDAC6HDAC1HDAC2
SCHEMBL19976812 0.79 GSK3B (0.51) MAPK1GSK3BHDAC6FGFR2FGFR3

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