SCHEMBL6417245

SCHEMBL6417245

Cn1ncc2nc(N3CCCC(OC(N)=O)C3)[nH]c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.34
SPR P35270 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KAT2B Q92831 7/20 0.31
BPTF Q12830 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 2/20 0.31
DGAT2 Q96PD7 1/20 0.30
BTK Q06187 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ADORA1 P30542 1/20 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
SCHEMBL13217402 0.82 DPP4 (0.47) DPP4MEN1KMT2APIM1PIM3
SCHEMBL2960897 0.79 KAT2B (0.38) SPRKAT2BBPTFBTK
SCHEMBL28566782 0.73 PIM2 (0.40) PIM1PIM3PIM2
SCHEMBL27623279 0.72 HTR3A (0.40)
SCHEMBL13217366 0.71 HTR3A (0.44) MEN1KMT2APIM1ADORA1
SCHEMBL6408912 0.71 SLC6A9 (0.34)
SCHEMBL28403316 0.67 LMNA (0.54) MEN1KMT2A
SCHEMBL28403318 0.67 LMNA (0.54) MEN1KMT2A
SCHEMBL25376365 0.65 HRH3 (0.49)
SCHEMBL14044476 0.65 DPP4 (0.59) DPP4MEN1KMT2A

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-1700911-A Combination drug EISAI CO LTD (JP) 2005-11-23 CN disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed