SCHEMBL6854923

SCHEMBL6854923

CCCCN(C)c1nnc2n(Cc3ccccc3)c(=O)c3cc(Br)ccc3n12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NPC1 O15118 1/20 0.38
UBE2N P61088 1/20 0.38
TP53 P04637 1/20 0.38
MAPK8 P45983 1/20 0.38
ADORA1 P30542 2/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL6854926 0.90 PLK1 (0.46) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6849994 0.87 PLK1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6999601 0.81 MAPT (0.46) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6791485 0.80 ALDH1A1 (0.54) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6857080 0.79 PLK1 (0.52) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855341 0.78 MAPT (0.51) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6858394 0.78 PLK1 (0.45) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855586 0.78 PLK1 (0.50) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855953 0.77 MAPT (0.41) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850061 0.77 L3MBTL1 (0.49) PLK1L3MBTL1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
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
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
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 disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed