SCHEMBL31320093

SCHEMBL31320093

Cn1cnnc1C1CCN(C(=O)OC(C)(C)C)C2(CC2)C1.Cn1cnnc1C1CCNC2(CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

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 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL31380068 0.91 EPHX2 (0.37) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL31320087 0.81 JAK3 (0.34) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL31380070 0.79 EPHX2 (0.33) EPHX2
SCHEMBL22712403 0.72 THRB (0.50) JAK3JAK2JAK1TYK2EPHX2
Hydrochloric Acid SCHEMBL31320052 0.69 SMN1; SMN2 (0.33) EPHX2
SCHEMBL24826722 0.67 KDM4E (0.41) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL18788539 0.67 THRB (0.45) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL27167765 0.67 NAMPT (0.40) JAK3JAK1KDM4EMAPTTHRB
SCHEMBL31380056 0.66 EPHX2 (0.39) JAK3JAK2JAK1TYK2EPHX2
SCHEMBL31320106 0.66 EPHX2 (0.39) JAK3JAK2JAK1TYK2EPHX2

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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