SCHEMBL31320087

SCHEMBL31320087

CC(C)(C)OC(=O)N1CCC(C(=O)NN)CC12CC2.Cn1cnnc1C1CCN(C(=O)OC(C)(C)C)C2(CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ STS P08842 3/20 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
SCHEMBL31380068 0.90 EPHX2 (0.37) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL31380053 0.82 PTPN2 (0.39) JAK3EPHX2PTPN2PTPN1PTPN6
SCHEMBL31320093 0.81 JAK3 (0.34) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL22712403 0.71 THRB (0.50) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL24715251 0.71 KMT2A (0.40) EPHX2PTPN2PTPN1PTPN6KMT2A
SCHEMBL31380066 0.69 SMN1; SMN2 (0.41) EPHX2PTPN2PTPN1PTPN6KMT2A
SCHEMBL22638812 0.69 HSD17B10 (0.45) EPHX2PTPN2PTPN1PTPN6HSD11B1
SCHEMBL27167765 0.68 NAMPT (0.40) JAK3JAK1GRIN2BGRIN2CHSD11B1
SCHEMBL24826722 0.67 KDM4E (0.41) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL24351029 0.67 KMT2A (0.37) EPHX2PTPN2PTPN1PTPN6KMT2A

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
WO-2025036713-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-20 — — WO disclosed
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