SCHEMBL29025850

SCHEMBL29025850

CN(C)C=Nc1ccc(NC2CCCN(C(=O)O)C2)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.42
GAA P10253 3/20 0.40
POLB P06746 1/20 0.39
JAK3 P52333 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29025846 1.00 GFER (0.42) GFERGAAPOLBJAK3KMT2A
SCHEMBL22076907 0.91 JAK3 (0.49) GFERJAK3
SCHEMBL22076904 0.91 JAK3 (0.49) GFERJAK3
SCHEMBL29025882 0.88 USP30 (0.42) GFERGAAJAK3KMT2A
SCHEMBL29025881 0.88 USP30 (0.42) GFERGAAJAK3KMT2A
SCHEMBL22076896 0.76 DPP4 (0.38)
SCHEMBL22076898 0.76 DPP4 (0.38)
SCHEMBL29025836 0.76 PPARA (0.36)
SCHEMBL29025838 0.76 PPARA (0.36)
SCHEMBL29025845 0.75 QDPR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422755-B Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2023-07-04 CN disclosed
CN-109422755-A A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2019-03-05 CN disclosed