SCHEMBL19976765

SCHEMBL19976765

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.41
JAK2 O60674 2/20 0.41
GSK3B P49841 6/20 0.39
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
DYRK1A Q13627 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

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
SCHEMBL19976736 0.90 MAP2K4 (0.44) NTRK1JAK2GSK3BDAPK3MAP4K4
SCHEMBL19976730 0.89 HDAC6 (0.41) JAK2GSK3BDAPK3MAP4K4PIM1
SCHEMBL19976866 0.84 DYRK1A (0.42) NTRK1GSK3BDAPK3MAP4K4PIM1
SCHEMBL19976725 0.84 GSK3B (0.52) GSK3BDYRK1AMAPK8MAPKAPK5HDAC6
SCHEMBL19976726 0.82 ABL1 (0.41) NTRK1JAK2GSK3BDAPK3MAP4K4
SCHEMBL19976801 0.82 TRPA1 (0.37) JAK2GSK3BDAPK3MAP4K4PIM1
SCHEMBL19976802 0.82 KDR (0.36) JAK2CDK2DYRK1AFLT4FLT3
SCHEMBL19976929 0.82 RIPK1 (0.37) JAK2DYRK1AAURKBHDAC6AURKA
SCHEMBL19976747 0.81 GSK3B (0.45) GSK3BPIM1CDK2HDAC6GSK3A
SCHEMBL19976820 0.80 HDAC6 (0.46) GSK3BMAPK8FADS1HDAC6GSK3A

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