SCHEMBL6547466

SCHEMBL6547466

O=C(O)c1ccccc1Nc1n[c]nc(F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.52
DAPK3 O43293 3/20 0.52
PIM1 P11309 3/20 0.52
CDK2 P24941 3/20 0.52
FLT3 P36888 3/20 0.52
GSK3B P49841 3/20 0.52
CDK9 P50750 3/20 0.52
CDK5 Q00535 3/20 0.52
DYRK1A Q13627 3/20 0.52
MELK Q14680 3/20 0.52
HIPK2 Q9H2X6 3/20 0.52
STK17A Q9UEE5 3/20 0.52
PAK4 O96013 1/20 0.52
MINK1 Q8N4C8 1/20 0.52
AURKA O14965 5/20 0.51
MAPK8 P45983 7/20 0.51
TAS2R14 Q9NYV8 3/20 0.50
PRKD3 O94806 2/20 0.49
CSNK1A1 P48729 2/20 0.49
JAK3 P52333 2/20 0.49

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
SCHEMBL9698720 0.83 CDC7 (0.58) CDC7DAPK3PIM1CDK2FLT3
SCHEMBL10879147 0.82 AKR1C3 (0.44) CDC7DAPK3PIM1CDK2FLT3
SCHEMBL7712957 0.78 ALDH1A1 (0.39) CDC7DAPK3PIM1CDK2FLT3
SCHEMBL7712964 0.78 KDM4E (0.42) CDC7DAPK3PIM1CDK2FLT3
SCHEMBL5686015 0.78 AURKA (0.66) CDC7DAPK3PIM1CDK2FLT3
SCHEMBL29603638 0.78 AURKA (0.66) CDC7DAPK3PIM1CDK2FLT3
SCHEMBL8092217 0.76 NPC1 (0.46) CDK2CDK5AURKAALDH1A1MAPT
SCHEMBL10910707 0.76 TSHR (0.53) FLT3AURKAKDM4EALDH1A1MAPT
SCHEMBL8087455 0.75 GAA (0.41) POLBGAAPTGS1PTGS2
SCHEMBL4651692 0.75 AURKA (0.45) PIM1CDK2FLT3GSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0962500-B1 Water soluble monoazo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2004-01-28 EP disclosed
US-5831039-A Fiber reactive polyazo dyes containing two urea groups DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-03 US disclosed
EP-0872523-A2 Fiber-reactive azo dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-10-21 EP disclosed