SCHEMBL19976768

SCHEMBL19976768

CCOCCN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2c(F)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.38
CDK2 P24941 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
FLT4 P35916 2/20 0.35
MAPK8 P45983 2/20 0.35
CLK2 P49760 2/20 0.35
CDK5 Q00535 2/20 0.35
DYRK1A Q13627 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
SLK Q9H2G2 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CDK1 P06493 2/20 0.35
GSK3B P49841 2/20 0.35
LIMK1 P53667 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PLK4 O00444 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL19976805 0.95 ALDH1A1 (0.36) MAPK1CDK2FLT4MAPK8CLK2
SCHEMBL19976782 0.91 MAPK1 (0.36) MAPK1HDAC6GSK3BHPGDTSHR
SCHEMBL19976731 0.89 MAPK1 (0.42) MAPK1CDK2HDAC6FLT4MAPK8
SCHEMBL19976858 0.85 MAPK1 (0.46) MAPK1HDAC6GSK3BFGFR1FGFR2
SCHEMBL19976764 0.84 GSK3B (0.48) MAPK1HDAC6GSK3BFGFR1FGFR2
SCHEMBL19976857 0.84 MAPK1 (0.35) MAPK1CDK2HDAC6FLT4MAPK8
SCHEMBL19976812 0.82 GSK3B (0.51) MAPK1HDAC6GSK3BMAPKAPK5FGFR1
SCHEMBL19976815 0.82 GSK3B (0.44) MAPK1CDK2HDAC6FLT4MAPK8
SCHEMBL19976785 0.81 MAPK1 (0.38) MAPK1CDK2HDAC6FLT4MAPK8
SCHEMBL19976801 0.81 TRPA1 (0.37) MAPK1CDK2HDAC6FLT4MAPK8

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