SCHEMBL6856080

SCHEMBL6856080

O=c1c2cc(Br)ccc2n2c(N3CCOCC3)nnc2n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLK1 P53350 3/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
PRKDC P78527 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL6854002 0.92 ALDH1A1 (0.53) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6850125 0.91 L3MBTL1 (0.48) DPP4L3MBTL1PLK1ALDH1A1KDM4E
SCHEMBL6854145 0.90 L3MBTL1 (0.47) DPP4L3MBTL1PLK1ALDH1A1KDM4E
SCHEMBL6858405 0.90 PLK1 (0.48) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6850007 0.90 L3MBTL1 (0.47) DPP4L3MBTL1PLK1ALDH1A1KDM4E
SCHEMBL6854083 0.89 PLK1 (0.47) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6855397 0.88 L3MBTL1 (0.46) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6850183 0.88 PLK1 (0.49) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6856848 0.85 PLK1 (0.46) L3MBTL1PLK1ALDH1A1KDM4EHTT
SCHEMBL6850130 0.84 L3MBTL1 (0.43) DPP4L3MBTL1PLK1ALDH1A1KDM4E

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