SCHEMBL459231

SCHEMBL459231

CC(C)(C)OC(=O)NC1CN(c2ncc(O)c(C#N)n2)CC1c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
RET P07949 10/20 0.38
NTRK1 P04629 3/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.37
DPP4 P27487 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
KDM4D Q6B0I6 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
SCHEMBL12064789 0.88 NTRK1 (0.40) RETNTRK1NR1H2DPP4KDM4D
SCHEMBL609161 0.88 AAK1 (0.41) RETNTRK1DPP4AAK1KDM4D
SCHEMBL459768 0.86 MAP3K14 (0.40) JAK3BTKRETNTRK1NR1H2
SCHEMBL12064591 0.86 MAP3K14 (0.40) JAK3BTKRETNTRK1NR1H2
SCHEMBL470735 0.85 NTRK1 (0.42) RETNTRK1NR1H2DPP4KDM4D
SCHEMBL610961 0.83 NTRK1 (0.41) RETNTRK1NR1H2DPP4
SCHEMBL470570 0.83 NTRK1 (0.43) RETNTRK1NR1H2DPP4
SCHEMBL457724 0.83 NTRK1 (0.41) RETNTRK1NR1H2DPP4
SCHEMBL457722 0.83 NTRK1 (0.41) RETNTRK1NR1H2DPP4
SCHEMBL458712 0.83 NTRK1 (0.41) RETNTRK1NR1H2DPP4

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed