SCHEMBL29017692

SCHEMBL29017692

CCc1sc2nc(=O)[nH]c(N)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 12/20 0.40
TYMS P04818 12/20 0.40
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37

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
SCHEMBL16428676 0.80 MAPK1 (0.54) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL1622388 0.75 DHFR (0.32) DHFRTYMSGAKMAPK1
SCHEMBL11519648 0.73 KDM4E (0.54) DHFRTYMSMAPK1KDM4ELMNA
SCHEMBL8197785 0.69 ALDH1A1 (0.56) DHFRTYMSMAPK1NOTUMKDM4E
SCHEMBL12282112 0.68 ABCB1 (0.42) DHFRGAKMAPK1NOTUMLMNA
SCHEMBL6015563 0.68 ABCB1 (0.42) DHFRMAPK1NOTUMLMNARAB9A
SCHEMBL8198100 0.68 KDM4E (0.51) DHFRTYMSMAPK1NOTUMKDM4E
SCHEMBL11492761 0.68 ALDH1A1 (0.54) DHFRTYMSMAPK1NOTUMKDM4E
SCHEMBL8188235 0.67 HPGD (0.76) MAPK1KDM4ELMNARAB9AALDH1A1
SCHEMBL11492762 0.67 ALDH1A1 (0.53) MAPK1KDM4ELMNARAB9AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024193071-A1 NEOTAME OFF-FLAVOR IMPROVER, ATOMIZED ESSENCE, AND AEROSOL GENERATING APPARATUS 深圳昱朋科技有限公司 2024-09-26 WO claimed
CN-116268354-B Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2024-03-26 CN claimed
CN-116268354-A Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2023-06-23 CN claimed
WO-2024193071-A1 NEOTAME OFF-FLAVOR IMPROVER, ATOMIZED ESSENCE, AND AEROSOL GENERATING APPARATUS 深圳昱朋科技有限公司 2024-09-26 WO disclosed
CN-116268354-B Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2024-03-26 CN disclosed
CN-116268354-A Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2023-06-23 CN disclosed