SCHEMBL9056844

SCHEMBL9056844

CCOC(=O)Oc1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(-n4ccnc4)cc3n2c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
CHEK1 O14757 1/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MET P08581 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT1 P17948 1/20 0.52
LTK P29376 1/20 0.52
GRK5 P34947 1/20 0.52
CDK8 P49336 1/20 0.52
PRKX P51817 1/20 0.52
NEK2 P51955 1/20 0.52
LIMK1 P53667 1/20 0.52
CDK5 Q00535 1/20 0.52
ACVR1 Q04771 1/20 0.52
TYRO3 Q06418 1/20 0.52
PRKAA1 Q13131 1/20 0.52
DYRK1A Q13627 1/20 0.52
IKBKE Q14164 1/20 0.52

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
SCHEMBL8036286 0.87 CHEK1 (0.67) SLC22A6SLC22A8CHEK1DAPK3PRKD3
SCHEMBL7512841 0.82 SLC22A6 (0.59) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL8894473 0.81 CHEK1 (0.76) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL8553507 0.79 CHEK1 (0.53) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL8557524 0.78 CHEK1 (0.51) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL9059384 0.78 CHEK1 (0.51) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL8554275 0.77 CHEK1 (0.48) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL7811014 0.76 SLC22A6 (0.77) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL8798774 0.75 CHEK1 (0.47) SLC22A6SLC22A8CHEK1DAPK3PRKD3
SCHEMBL8191650 0.75 SLC22A6 (0.61) SLC22A6SLC22A8GRIK1GRIA1GRIA2

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
WO-1996010572-A1 NEW HETEROCYCLIC SUBSTITUTED IMIDAZOLOQUINOXALINONES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed