SCHEMBL6856863

SCHEMBL6856863

COc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N3CCCCCC3)n21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6850122 0.99 HSP90AA1 (0.52) HSP90AA1NPSR1MAPTTP53ALDH1A1
SCHEMBL6855573 0.88 MAPT (0.49) HSP90AA1NPSR1MAPTTP53ALDH1A1
SCHEMBL6858383 0.88 MAPT (0.45) HSP90AA1NPSR1MAPTTP53KMT2A
SCHEMBL6855314 0.87 MAPT (0.54) NPSR1MAPTTP53ALDH1A1TSHR
SCHEMBL6855333 0.86 L3MBTL1 (0.55) MAPTTP53ALDH1A1TSHRKMT2A
SCHEMBL6853858 0.86 L3MBTL1 (0.55) MAPTTP53ALDH1A1TSHRKMT2A
SCHEMBL6850305 0.86 MAPT (0.55) NPSR1MAPTTP53ALDH1A1TSHR
SCHEMBL6854048 0.86 PIK3R1 (0.46) HSP90AA1NPSR1MAPTTP53ALDH1A1
SCHEMBL6854145 0.85 L3MBTL1 (0.47) MAPTTP53ALDH1A1TSHRKMT2A
SCHEMBL6850007 0.85 L3MBTL1 (0.47) MAPTTP53ALDH1A1TSHRKMT2A

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