SCHEMBL19976874

SCHEMBL19976874

CC(C)(C)CN/C(=N/C(=O)C1CNC(N2CCOCC2)C2(CCCCCCCC2)C1)Nc1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
FGFR1 P11362 3/20 0.36
DDR2 Q16832 3/20 0.36
KIT P10721 4/20 0.33
FLT3 P36888 2/20 0.33
KDR P35968 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CCR2 P41597 2/20 0.32
KCNH2 Q12809 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL19976756 0.74 MAPT (0.46) GSK3BFGFR1DDR2KITFLT3
SCHEMBL18556955 0.69 GSK3B (0.53) GSK3BKDRHDAC6HDAC1HDAC2
SCHEMBL19976799 0.67 GSK3B (0.42) GSK3BFGFR1DDR2KITFLT3
SCHEMBL19976845 0.65 MAPT (0.45) GSK3BFGFR1DDR2KITFLT3
SCHEMBL16682137 0.65 GSK3B (0.50) GSK3BKDRHDAC6HDAC1HDAC2
SCHEMBL19976814 0.65 MAPT (0.47) GSK3BFGFR1DDR2KITFLT3
SCHEMBL16675945 0.64 GSK3B (0.44) GSK3BHDAC6CDK2
SCHEMBL18556896 0.63 GSK3B (0.52) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL19976816 0.63 MAPT (0.46) GSK3BFGFR1DDR2KITFLT3
SCHEMBL19976888 0.63 GSK3B (0.51) GSK3BFGFR1HDAC6HDAC1HDAC2

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