SCHEMBL28453095

SCHEMBL28453095

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.39
PIK3C3 Q8NEB9 3/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
SSTR4 P31391 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ERN1 O75460 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL28061498 0.80 HTT (0.34) AGBL2PIK3C3HTTSSTR4
SCHEMBL7969124 0.73 ALDH1A1 (0.44) AGBL2HTTL3MBTL1
SCHEMBL21801501 0.72 NAPRT (0.41) HTTL3MBTL1
SCHEMBL1395991 0.68 AGBL2 (0.41) AGBL2L3MBTL1HCAR2
SCHEMBL25552302 0.68 AGBL2 (0.33) AGBL2HTT
SCHEMBL3944952 0.65 HSD17B10 (0.37) AGBL2L3MBTL1HCAR2
SCHEMBL4326940 0.64 DPP4 (0.39) AGBL2HCAR2
SCHEMBL30641925 0.64 DPP4 (0.39) AGBL2HCAR2
Acetic Acid SCHEMBL15094229 0.64 AGBL2 (0.38) AGBL2HCAR2
SCHEMBL22788157 0.64 PDK2 (0.38) AGBL2SSTR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111635408-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-07-22 CN disclosed
CN-112279852-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 CN disclosed
CN-111601809-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-08-28 CN disclosed