SCHEMBL6999601

SCHEMBL6999601

CCCCCNc1nnc2n(Cc3ccccc3)c(=O)c3cc(Br)ccc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 2/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TLR7 Q9NYK1 1/20 0.40
MAPK8 P45983 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL6858394 0.93 PLK1 (0.45) MAPTTP53POLBL3MBTL1PLK1
SCHEMBL6850115 0.85 PLK1 (0.48) MAPTL3MBTL1PLK1ALDH1A1SMN1; SMN2
SCHEMBL6854923 0.81 PLK1 (0.43) MAPTTP53L3MBTL1PLK1ALDH1A1
SCHEMBL6849994 0.81 PLK1 (0.48) MAPTTP53L3MBTL1PLK1ALDH1A1
SCHEMBL6791485 0.80 ALDH1A1 (0.54) MAPTTP53L3MBTL1PLK1ALDH1A1
SCHEMBL6857080 0.79 PLK1 (0.52) MAPTTP53L3MBTL1PLK1ALDH1A1
SCHEMBL6854926 0.79 PLK1 (0.46) MAPTTP53L3MBTL1PLK1ALDH1A1
SCHEMBL6855586 0.78 PLK1 (0.50) MAPTL3MBTL1PLK1ALDH1A1HTT
SCHEMBL6850183 0.76 PLK1 (0.49) MAPTTP53L3MBTL1PLK1ALDH1A1
SCHEMBL6854083 0.76 PLK1 (0.47) MAPTTP53L3MBTL1PLK1ALDH1A1

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-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed