SCHEMBL19976802

SCHEMBL19976802

CC(C)(C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2cncc(F)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
BLK P51451 1/20 0.36
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL19976849 0.92 HDAC6 (0.36) KDRLCKFYNCSF1RLYN
SCHEMBL19976726 0.87 ABL1 (0.41) KDRLCKFYNCSF1RLYN
SCHEMBL19976730 0.82 HDAC6 (0.41) FLT4JAK2MAPK1DYRK1ACDK2
SCHEMBL19976765 0.82 NTRK1 (0.41) LCKFLT4FLT3JAK2DYRK1A
SCHEMBL16752855 0.82 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16752857 0.82 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL19976875 0.80 HDAC6 (0.35) KDRLCKFYNCSF1RLYN
SCHEMBL16752861 0.79 MEN1 (0.37) KDRKITFLT3CHRNA1CHRNG
SCHEMBL19976736 0.79 MAP2K4 (0.44) FLT4JAK2MAPK1DYRK1ACDK2
SCHEMBL16752859 0.79 MEN1 (0.37) KDRKITFLT3CHRNA1CHRNG

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