SCHEMBL6854083

SCHEMBL6854083

CN1CCN(c2nnc3n(Cc4ccccc4)c(=O)c4cc(Br)ccc4n23)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
BRD4 O60885 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL6850125 0.92 L3MBTL1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6854145 0.91 L3MBTL1 (0.47) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850007 0.91 L3MBTL1 (0.47) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6854002 0.91 ALDH1A1 (0.53) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6858405 0.91 PLK1 (0.48) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6855397 0.89 L3MBTL1 (0.46) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6856080 0.89 DPP4 (0.46) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850183 0.89 PLK1 (0.49) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6856848 0.86 PLK1 (0.46) PLK1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL6850130 0.85 L3MBTL1 (0.43) 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