SCHEMBL2578422

SCHEMBL2578422

C=C(CC(N)=O)c1ncc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.34
BACE1 P56817 7/20 0.33
BACE2 Q9Y5Z0 2/20 0.32
SYK P43405 2/20 0.32
SSTR4 P31391 1/20 0.32
NR3C2 P08235 1/20 0.32
ADORA2A P29274 1/20 0.31
GRM4 Q14833 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
SCHEMBL30641925 0.77 DPP4 (0.39) DPP4DPP9AGBL2BACE1SYK
SCHEMBL4326940 0.77 DPP4 (0.39) DPP4DPP9AGBL2BACE1SYK
SCHEMBL1396222 0.76 NR3C2 (0.32) AGBL2NR3C2
SCHEMBL107626 0.76 BACE1 (0.42) DPP4DPP9AGBL2BACE1BACE2
Hydrochloric Acid SCHEMBL28375765 0.75 DPP4 (0.39) DPP4DPP9AGBL2BACE1SYK
SCHEMBL1315200 0.71 ALDH1A1 (0.42) DPP4DPP9AGBL2BACE1BACE2
SCHEMBL107357 0.71 HCAR2 (0.45) DPP4DPP9AGBL2BACE1BACE2
SCHEMBL589530 0.71 AGBL2 (0.34) DPP4DPP9AGBL2BACE1BACE2
SCHEMBL4459170 0.70 DPP4 (0.34) DPP4DPP9AGBL2BACE1
SCHEMBL18784193 0.70 AGBL2 (0.37) DPP4DPP9AGBL2BACE1GRM4

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
EP-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed