SCHEMBL29079151

SCHEMBL29079151

O=C(O)N1Cc2cn(C(F)(F)F)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
ABHD6 Q9BV23 2/20 0.32
SLC6A9 P48067 4/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
NAMPT P43490 1/20 0.31
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29079125 0.89 PDK2 (0.44) PDK2ABHD6SLC6A9DPP4DPP8
SCHEMBL15152898 0.84 PDK2 (0.54) PDK2SLC6A9
SCHEMBL28877856 0.75 HDAC1 (0.42) PDK2SLC6A9NAMPT
SCHEMBL15524327 0.70 KDM1A (0.39) DPP4
SCHEMBL29262509 0.70 SLC6A9 (0.41) PDK2SLC6A9
SCHEMBL17202438 0.70 DPP4 (0.39) PDK2DPP4NAMPTKMT2A
SCHEMBL2364148 0.69 HTT (0.44) DPP4KMT2A
SCHEMBL18760087 0.68 USP9X (0.38) SLC6A9DPP4POLB
SCHEMBL20483601 0.68 DPP4 (0.40) SLC6A9DPP4DPP8DPP7
SCHEMBL28678787 0.68 HTT (0.37) SLC6A9NAMPT

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
CN-116640156-A RIPK1 inhibitors 上海齐鲁制药研究中心有限公司 2023-08-25 CN disclosed