SCHEMBL29940306

SCHEMBL29940306

N#Cc1ccc(N2CC3CC3C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
JAK1 P23458 2/20 0.49
JAK2 O60674 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
DPP4 P27487 4/20 0.45
DPP8 Q6V1X1 3/20 0.45
DPP9 Q86TI2 3/20 0.45
DPP7 Q9UHL4 2/20 0.45
PANK3 Q9H999 5/20 0.43
GRM4 Q14833 1/20 0.42
SMO Q99835 2/20 0.41
PREP P48147 1/20 0.41
CHRM4 P08173 1/20 0.41
CYP11B2 P19099 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
SCHEMBL22754620 0.91 JAK1 (0.46) KDM4EALDH1A1L3MBTL1JAK1JAK2
Hydrochloric Acid SCHEMBL21522335 0.84 KDM4E (0.45) KDM4EALDH1A1L3MBTL1JAK1JAK2
SCHEMBL1728173 0.84 GPR119 (0.47) KDM4EALDH1A1L3MBTL1JAK1JAK2
SCHEMBL1728176 0.84 GPR119 (0.47) KDM4EALDH1A1L3MBTL1JAK1JAK2
SCHEMBL12153075 0.84 GPR119 (0.47) KDM4EALDH1A1L3MBTL1JAK1JAK2
SCHEMBL2306277 0.84 GPR119 (0.47) KDM4EALDH1A1L3MBTL1JAK1JAK2
SCHEMBL16478649 0.83 KDM4E (0.54) KDM4EALDH1A1L3MBTL1JAK1JAK2
SCHEMBL16718810 0.83 KDM4E (0.50) KDM4EALDH1A1L3MBTL1JAK1JAK2
SCHEMBL12683422 0.83 KDM4E (0.54) KDM4EALDH1A1L3MBTL1JAK1JAK2
Hydrochloric Acid SCHEMBL21522334 0.83 KDM4E (0.44) KDM4EALDH1A1L3MBTL1JAK1JAK2

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-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed