SCHEMBL6813639

SCHEMBL6813639

O=c1[nH]c2cc(Nc3ccc(F)cc3)cnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.50
MAP4K4 O95819 2/20 0.50
RET P07949 2/20 0.50
PIM1 P11309 2/20 0.50
KDR P35968 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
RPS6KA3 P51812 2/20 0.50
CDK5 Q00535 2/20 0.50
MAP4K2 Q12851 2/20 0.50
AURKB Q96GD4 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
PRKCQ Q04759 2/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
FYN P06241 1/20 0.50

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
SCHEMBL6813313 0.86 PRKD3 (0.49) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6818052 0.86 PRKD3 (0.49) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6392629 0.86 PRKD3 (0.62) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6813901 0.85 PRKD3 (0.51) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6392438 0.85 PDE3B (0.47) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6813333 0.82 BCL6 (0.48) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6810704 0.82 PDE3B (0.50) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6813581 0.81 MEN1 (0.52) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6814293 0.80 AURKB (0.51) PRKD3MAP4K4RETPIM1KDR
SCHEMBL13290171 0.78 PRKD3 (0.61) PRKD3MAP4K4RETPIM1KDR

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
EP-1017384-B1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ZENTARIS GMBH (DE) 2004-11-10 EP disclosed