SCHEMBL3257675

SCHEMBL3257675

O=C(O)c1ccc2nc3c(nc2c1)[nH]c1ccccc13

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.70
CSNK2A1 P68400 2/20 0.70
PLK4 O00444 1/20 0.70
CHEK1 O14757 1/20 0.70
AURKA O14965 1/20 0.70
DAPK3 O43293 1/20 0.70
CHEK2 O96017 1/20 0.70
CDK1 P06493 1/20 0.70
PIM1 P11309 1/20 0.70
RPS6KB1 P23443 1/20 0.70
FLT4 P35916 1/20 0.70
KDR P35968 1/20 0.70
CSNK1D P48730 1/20 0.70
GSK3A P49840 1/20 0.70
GSK3B P49841 1/20 0.70
JAK3 P52333 1/20 0.70
PRKAA1 Q13131 1/20 0.70
DYRK1A Q13627 1/20 0.70
AURKB Q96GD4 1/20 0.70
PIM2 Q9P1W9 1/20 0.70

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
SCHEMBL3257680 0.86 NPC1 (0.58) MAPK9CSNK2A1PLK4CHEK1AURKA
SCHEMBL18511359 0.79 GAA (0.63) MAPK9CSNK2A1PLK4CHEK1AURKA
SCHEMBL29572859 0.79 RAB9A (1.00) MAPK9CSNK2A1PLK4CHEK1AURKA
SCHEMBL278729 0.79 RAB9A (1.00) MAPK9CSNK2A1PLK4CHEK1AURKA
SCHEMBL3257613 0.78 DYRK1A (0.48) MAPK9CSNK2A1PLK4CHEK1AURKA
SCHEMBL8832011 0.77 NPC1 (0.71) MAPK9CSNK2A1PLK4CHEK1AURKA
SCHEMBL8832035 0.77 NPC1 (0.71) MAPK9CSNK2A1PLK4CHEK1AURKA
SCHEMBL2251936 0.75 TDP1 (0.71) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL2251523 0.75 TDP1 (0.71) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL278691 0.75 NPC1 (0.72) MAPK9CSNK2A1PLK4CHEK1AURKA

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
EP-2128160-B1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents UNIV DUISBURG ESSEN (DE) 2010-07-14 EP disclosed
EP-2128160-A1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents Universität Duisburg-Essen (DE) 2009-12-02 EP disclosed