SCHEMBL19976866

SCHEMBL19976866

CC(C)CN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.42
NTRK1 P04629 4/20 0.41
GSK3B P49841 8/20 0.38
DAPK3 O43293 3/20 0.38
MAP4K4 O95819 3/20 0.38
PIM1 P11309 3/20 0.38
CDK2 P24941 3/20 0.38
CLK2 P49760 3/20 0.38
CDK5 Q00535 3/20 0.38
MAP4K5 Q9Y4K4 3/20 0.38
AURKB Q96GD4 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
PRKAA1 Q13131 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
PRKD3 O94806 2/20 0.38
CDK8 P49336 2/20 0.38
MAP4K2 Q12851 2/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 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
SCHEMBL19976846 0.90 KDM4E (0.42) DYRK1AGSK3BDAPK3MAP4K4PIM1
SCHEMBL19976854 0.89 GSK3B (0.42) DYRK1ANTRK1GSK3BDAPK3MAP4K4
SCHEMBL19976789 0.87 GSK3B (0.42) DYRK1AGSK3BCDK2CDK1CYP1A2
SCHEMBL19976776 0.86 GSK3B (0.48) DYRK1AGSK3BMAP2K4CYP1A2MAPK1
SCHEMBL19976767 0.84 GSK3B (0.51) GSK3BMAPK8MAPKAPK5MAP2K4CYP1A2
SCHEMBL19976765 0.84 NTRK1 (0.41) DYRK1ANTRK1GSK3BDAPK3MAP4K4
SCHEMBL19976926 0.84 GRM4 (0.48) DYRK1A
SCHEMBL19976766 0.83 ABL1 (0.43) DYRK1ANTRK1GSK3BDAPK3MAP4K4
SCHEMBL19976857 0.83 MAPK1 (0.35) DYRK1AGSK3BDAPK3MAP4K4PIM1
SCHEMBL19976745 0.82 GSK3B (0.45) DYRK1AGSK3BPIM1CDK2GSK3A

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