SCHEMBL12064591

SCHEMBL12064591

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(O)c(C(N)=O)n2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.40
NTRK1 P04629 3/20 0.38
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
SYK P43405 3/20 0.35
KDM4D Q6B0I6 1/20 0.35
DPP4 P27487 1/20 0.34
F2R P25116 1/20 0.34
BTK Q06187 3/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
NPY5R Q15761 3/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL459768 1.00 MAP3K14 (0.40) MAP3K14NTRK1NR1H2NR1H3SYK
SCHEMBL12064789 0.91 NTRK1 (0.40) MAP3K14NTRK1NR1H2KDM4DDPP4
SCHEMBL462558 0.90 PDE4B (0.38) MAP3K14NTRK1NR1H2NR1H3SYK
SCHEMBL462557 0.90 PDE4B (0.38) MAP3K14NTRK1NR1H2NR1H3SYK
SCHEMBL459231 0.86 JAK3 (0.39) NTRK1NR1H2NR1H3KDM4DDPP4
SCHEMBL470735 0.86 NTRK1 (0.42) NTRK1NR1H2KDM4DDPP4F2R
SCHEMBL457722 0.85 NTRK1 (0.41) NTRK1NR1H2DPP4F2RNPY5R
SCHEMBL457724 0.85 NTRK1 (0.41) NTRK1NR1H2DPP4F2RNPY5R
SCHEMBL470545 0.84 NTRK1 (0.39) NTRK1NR1H2DPP4F2RNPY5R
SCHEMBL610961 0.84 NTRK1 (0.41) NTRK1NR1H2DPP4F2RNPY5R

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