SCHEMBL18992125

SCHEMBL18992125

CN(C)C(=O)C1CC1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
DPP4 P27487 8/20 0.33
DPP9 Q86TI2 3/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
GLI1 P08151 1/20 0.31
DPP8 Q6V1X1 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
SCHEMBL11826262 0.87 ALDH1A1 (0.42) DPP4DPP9CTSBCTSSCTSK
SCHEMBL11826258 0.87 ALDH1A1 (0.42) DPP4DPP9CTSBCTSSCTSK
SCHEMBL22546507 0.79
SCHEMBL20876415 0.79
SCHEMBL1076013 0.79
SCHEMBL29012798 0.79
SCHEMBL10208151 0.78 ALDH1A1 (0.35) DPP4DPP9CTSBCTSSCTSK
SCHEMBL3140213 0.78 GABRR1 (0.40) DPP4DPP9CTSBCTSSCTSK
SCHEMBL18991404 0.78 GABRR1 (0.40) DPP4DPP9CTSBCTSSCTSK
SCHEMBL13863235 0.78 ALDH1A1 (0.35) DPP4DPP9CTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698481-A Heteroaryl pyridone and aza-pyridone amide compounds 豪夫迈·罗氏有限公司 2020-01-17 CN claimed
CN-110698481-B Heteroaryl pyridone and aza-pyridone amide compounds 豪夫迈·罗氏有限公司 2023-02-28 CN disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-110698481-A Heteroaryl pyridone and aza-pyridone amide compounds 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
CN-110678466-A Naphthyridines as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-10 CN disclosed
EP-3394044-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2018-10-31 EP disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed