SCHEMBL30683434

SCHEMBL30683434

[2H]C([2H])([2H])n1cnnc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ GPR119 Q8TDV5 9/20 0.44
▸ HPGDS O60760 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL22712403 0.91 THRB (0.50) THRBKDM4EMAPTJAK2JAK1
SCHEMBL18788539 0.85 THRB (0.45) THRBKDM4EMAPTJAK2JAK1
SCHEMBL30984352 0.81 MAPT (0.47) THRBKDM4EMAPTJAK2JAK1
SCHEMBL24826722 0.78 KDM4E (0.41) THRBKDM4EMAPTJAK2JAK1
SCHEMBL16827866 0.76 POLB (0.52) THRBMAPTJAK2JAK1TYK2
SCHEMBL16886323 0.74 EPHX2 (0.52) EPHX2
SCHEMBL31380056 0.74 EPHX2 (0.39) THRBKDM4EMAPTJAK2JAK1
SCHEMBL31320106 0.74 EPHX2 (0.39) THRBKDM4EMAPTJAK2JAK1
SCHEMBL31320104 0.74 EPHX2 (0.39) THRBKDM4EMAPTJAK2JAK1
SCHEMBL948563 0.73 GPR119 (0.53) THRBKDM4EMAPTGPR119HPGDS

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
EP-4558492-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 Therapeutics, Inc. (US) 2025-05-28 — — EP disclosed
CN-119654315-A 3- (6-Pyridin-3-yl) -2- [4- (4-methyl-4H-1, 2, 4-triazol-3-yl) piperidin-1-yl ] benzonitrile derivatives and similar compounds as QPCTL and QPCT inhibitors for the treatment of cancer 858治疗公司 2025-03-18 — — CN disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 — — WO disclosed
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