SCHEMBL6854926

SCHEMBL6854926

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.41
CFTR P13569 2/20 0.41
TP53 P04637 1/20 0.40
MAPK8 P45983 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
TSPO P30536 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6849994 0.91 PLK1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6854923 0.90 PLK1 (0.43) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6791485 0.85 ALDH1A1 (0.54) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6857080 0.82 PLK1 (0.52) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855341 0.81 MAPT (0.51) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855586 0.81 PLK1 (0.50) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855953 0.80 MAPT (0.41) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850061 0.80 L3MBTL1 (0.49) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850115 0.80 PLK1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6849948 0.80 ALDH1A1 (0.41) 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 7 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