SCHEMBL28512170

SCHEMBL28512170

O=C(CN1CCn2cnnc2C1)OC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 3/20 0.35
LTA4H P09960 2/20 0.33
SCN9A Q15858 1/20 0.33
NAMPT P43490 1/20 0.33
PARP1 P09874 1/20 0.32
PDPK1 O15530 1/20 0.32
TIPARP Q7Z3E1 1/20 0.31
NOTUM Q6P988 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
Trifluoroacetic Acid SCHEMBL28512172 0.81 DPP4 (0.42) EPHX2DPP4DPP8LTA4HSCN9A
SCHEMBL28510183 0.68 KMT2A (0.41)
SCHEMBL7344719 0.67 GAA (0.42)
SCHEMBL2760091 0.67 PDPK1 (0.44) EPHX2DPP4DPP8LTA4HNAMPT
SCHEMBL28509602 0.67 SMN1; SMN2 (0.43) SCN9A
Trifluoroacetic Acid SCHEMBL30557635 0.66 DPP4 (0.54) DPP4DPP8SCN9ANAMPTPARP1
SCHEMBL28507620 0.65 PIK3CD (0.42) EPHX2
SCHEMBL28513535 0.65 LTA4H (0.32) LTA4H
SCHEMBL6284937 0.65 KDM4E (0.47)
SCHEMBL16826426 0.65 SIGMAR1 (0.41)

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-112279848-A Pan-JAKs inhibitor and application thereof 四川海思科制药有限公司 2021-01-29 CN disclosed