SCHEMBL6856567

SCHEMBL6856567

O=c1c2ccc(Cl)cc2n2c(N3CCCCCC3)nnc2n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 3/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ADORA1 P30542 2/20 0.40
LMNA P02545 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ADORA2B P29275 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL6855333 0.92 L3MBTL1 (0.55) L3MBTL1MAPK8MAPK9ALDH1A1KDM4E
SCHEMBL6853858 0.92 L3MBTL1 (0.55) L3MBTL1MAPK8MAPK9ALDH1A1KDM4E
SCHEMBL6854118 0.91 L3MBTL1 (0.56) L3MBTL1MAPK8MAPK9ALDH1A1KDM4E
SCHEMBL6853754 0.89 MAPT (0.54) L3MBTL1ALDH1A1KDM4EHTTTP53
SCHEMBL6854444 0.88 ALDH1A1 (0.59) L3MBTL1ALDH1A1KDM4EHTTTP53
SCHEMBL6850112 0.87 ALDH1A1 (0.60) L3MBTL1ALDH1A1KDM4EHTTTP53
SCHEMBL6856229 0.86 L3MBTL1 (0.53) L3MBTL1ALDH1A1KDM4EHTTTP53
SCHEMBL6853905 0.85 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EHTTTP53
SCHEMBL6856070 0.85 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EHTTTP53
SCHEMBL7465849 0.84 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EHTTTP53

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