SCHEMBL19976877

SCHEMBL19976877

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.40
HDAC6 Q9UBN7 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
GSK3B P49841 3/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
KDR P35968 2/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL19976875 0.87 HDAC6 (0.35) MAPK1HDAC6ABL1BCRGSK3B
SCHEMBL19976764 0.85 GSK3B (0.48) MAPK1HDAC6GSK3BCYP1A2FGFR1
SCHEMBL19976758 0.85 DYRK1A (0.40) MAPK1HDAC6ABL1BCRHPGD
SCHEMBL19976731 0.82 MAPK1 (0.42) MAPK1HDAC6ABL1BCRGSK3B
SCHEMBL19976858 0.82 MAPK1 (0.46) MAPK1HDAC6ABL1BCRGSK3B
SCHEMBL19976849 0.82 HDAC6 (0.36) MAPK1HDAC6ABL1BCRKDR
SCHEMBL19976812 0.80 GSK3B (0.51) MAPK1HDAC6GSK3BFGFR1FGFR2
SCHEMBL19976815 0.79 GSK3B (0.44) MAPK1HDAC6GSK3BKITFLT4
SCHEMBL19976768 0.78 MAPK1 (0.38) MAPK1HDAC6ABL1BCRGSK3B
SCHEMBL19976907 0.78 GSK3B (0.49) MAPK1HDAC6ABL1BCRGSK3B

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