SCHEMBL19976726

SCHEMBL19976726

CC(C)(C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2cccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.41
BCR P11274 2/20 0.41
KDR P35968 9/20 0.37
EPHB4 P54760 3/20 0.37
TEK Q02763 3/20 0.37
CTSK P43235 1/20 0.37
MAPK10 P53779 2/20 0.36
MAPK8 P45983 2/20 0.36
FLT4 P35916 6/20 0.35
FLT3 P36888 6/20 0.35
CSF1R P07333 5/20 0.35
KIT P10721 5/20 0.35
LYN P07948 4/20 0.35
SRC P12931 4/20 0.35
FLT1 P17948 4/20 0.35
BLK P51451 4/20 0.35
PLK4 O00444 3/20 0.35
CDK1 P06493 3/20 0.35
MAP4K2 Q12851 3/20 0.35
MARK2 Q7KZI7 3/20 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
SCHEMBL19976802 0.87 KDR (0.36) ABL1BCRKDRFLT4FLT3
SCHEMBL19976730 0.87 HDAC6 (0.41) MAPK10MAPK8FLT4PLK4CDK1
SCHEMBL16752857 0.84 CHRNA1 (0.34) JAK2CDK2CHRNA1CHRNGCHRNB1
SCHEMBL16752855 0.84 CHRNA1 (0.34) JAK2CDK2CHRNA1CHRNGCHRNB1
SCHEMBL19976801 0.84 TRPA1 (0.37) ABL1BCRMAPK8FLT4PLK4
SCHEMBL19976766 0.84 ABL1 (0.43) ABL1BCRKDREPHB4TEK
SCHEMBL19976849 0.83 HDAC6 (0.36) ABL1BCRKDRFLT4FLT3
SCHEMBL19976765 0.82 NTRK1 (0.41) MAPK8FLT4FLT3PLK4CDK1
SCHEMBL16752859 0.82 MEN1 (0.37) KDRFLT3KITFGFR1FGFR2
SCHEMBL16752861 0.82 MEN1 (0.37) KDRFLT3KITFGFR1FGFR2

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