SCHEMBL6856259

SCHEMBL6856259

CN(C)c1nnc2n(Cc3ccccc3)c(=O)c3cc(C#N)ccc3n12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.44
PLK1 P53350 2/20 0.43
CFTR P13569 1/20 0.41
TP53 P04637 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
MMP13 P45452 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 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
SCHEMBL6855622 0.94 MAPT (0.42) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6854257 0.88 MAPT (0.46) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6854427 0.87 PIK3R1 (0.48) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6858338 0.87 MAPT (0.39) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6856039 0.86 MAPT (0.55) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6849994 0.85 PLK1 (0.48) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6854500 0.80 L3MBTL1 (0.46) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6994283 0.79 MAPT (0.40) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6994277 0.79 MAPT (0.40) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL6850084 0.79 MAPT (0.39) L3MBTL1MAPTALDH1A1HTTKDM4E

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