SCHEMBL6855397

SCHEMBL6855397

O=c1c2cc(Br)ccc2n2c(N3CCSCC3)nnc2n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
PLK1 P53350 2/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6850125 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6858405 0.90 PLK1 (0.48) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6850007 0.90 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6854145 0.90 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6854002 0.90 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6854083 0.89 PLK1 (0.47) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6856080 0.88 DPP4 (0.46) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6850006 0.88 MAPT (0.53) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6850183 0.88 PLK1 (0.49) L3MBTL1ALDH1A1KDM4EHTTPLK1
SCHEMBL6856848 0.85 PLK1 (0.46) L3MBTL1ALDH1A1KDM4EHTTPLK1

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 7 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