SCHEMBL6854099

SCHEMBL6854099

CN(C)c1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N3CCCC3)n21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ABCC1 P33527 1/20 0.39
TP53 P04637 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL6853972 0.89 L3MBTL1 (0.43) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850305 0.87 MAPT (0.55) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855314 0.86 MAPT (0.54) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6854118 0.86 L3MBTL1 (0.56) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6854997 0.85 L3MBTL1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850068 0.85 L3MBTL1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855333 0.85 L3MBTL1 (0.55) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850008 0.85 L3MBTL1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6853858 0.85 L3MBTL1 (0.55) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850125 0.85 L3MBTL1 (0.48) 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