SCHEMBL19976849

SCHEMBL19976849

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
KDR P35968 5/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35
BLK P51451 1/20 0.35
HTT P42858 1/20 0.34
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNQ5 Q9NR82 1/20 0.33
HTR5A P47898 1/20 0.33
PDGFRB P09619 1/20 0.33
JAK2 O60674 1/20 0.32
ALPL P05186 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
SCHEMBL19976802 0.92 KDR (0.36) KDRLCKFYNCSF1RLYN
SCHEMBL19976875 0.89 HDAC6 (0.35) HDAC6KDRLCKFYNCSF1R
SCHEMBL19976758 0.85 DYRK1A (0.40) HDAC6KDRLCKFYNCSF1R
SCHEMBL19976726 0.83 ABL1 (0.41) HDAC6KDRLCKFYNCSF1R
SCHEMBL19976877 0.82 MAPK1 (0.40) HDAC6KDRLCKFYNCSF1R
SCHEMBL19976730 0.80 HDAC6 (0.41) HDAC6FLT4JAK2MAPK1
SCHEMBL16752857 0.79 CHRNA1 (0.34) KCNQ3KCNQ2JAK2CHRNA1CHRNG
SCHEMBL16752855 0.79 CHRNA1 (0.34) KCNQ3KCNQ2JAK2CHRNA1CHRNG
SCHEMBL19976765 0.79 NTRK1 (0.41) HDAC6LCKFLT4FLT3JAK2
SCHEMBL18558420 0.79 MEN1 (0.36) HDAC6FYNHTTKCNQ3KCNQ2

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