SCHEMBL29650339

SCHEMBL29650339

O=c1cnc2c(Cl)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.45
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
PARP1 P09874 2/20 0.42
RPS6KA3 P51812 2/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL2359356 1.00 PSMB8 (0.45) PSMB8ADORA1ADORA3PARP1RPS6KA3
SCHEMBL3942822 0.78 MAPKAPK2 (0.46) PARP1RPS6KA3CHEK1MAPKAPK2CSNK2A1
SCHEMBL21530547 0.78 PARP1 (0.42) PARP1RPS6KA3EGLN1MAPKAPK2CSNK2A1
SCHEMBL26111670 0.78 NOS1 (0.39) PSMB8PARP1RPS6KA3PDGFRBFGFR1
SCHEMBL1041260 0.78 KDM4E (0.42) PARP1RPS6KA3MAPKAPK2CSNK2A1PLK3
SCHEMBL30196908 0.78 PARP1 (0.42) PARP1RPS6KA3EGLN1MAPKAPK2CSNK2A1
SCHEMBL30592183 0.78 NOS1 (0.39) PSMB8PARP1RPS6KA3PDGFRBFGFR1
SCHEMBL16671449 0.78 MAPKAPK2 (0.42) PARP1RPS6KA3MAPKAPK2CSNK2A1PLK3
SCHEMBL13723653 0.78 ADORA3 (0.44) ADORA1ADORA3PARP1AURKAGABRP
SCHEMBL9037873 0.74 HTT (0.49) ADORA1ADORA3RPS6KA3EGLN1MAPKAPK2

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
CN-110483421-B Preparation method of quinoxalinone derivative 沈阳师范大学 2022-06-10 CN disclosed