SCHEMBL6854093

SCHEMBL6854093

O=c1c2cc(Br)ccc2n2c(N3CCCC3)nnc2n1CCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
PLK1 P53350 1/20 0.43
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6854112 0.85 PLK1 (0.43) TSHRALDH1A1GAAPLK1TP53
SCHEMBL6850125 0.83 L3MBTL1 (0.48) TSHRALDH1A1PLK1TP53LMNA
SCHEMBL6855741 0.83 PLK1 (0.41) TSHRALDH1A1PLK1LMNASMN1; SMN2
SCHEMBL6850007 0.82 L3MBTL1 (0.47) TSHRALDH1A1PLK1TP53LMNA
SCHEMBL6854145 0.82 L3MBTL1 (0.47) TSHRALDH1A1PLK1TP53LMNA
SCHEMBL6850094 0.81 ALDH1A1 (0.43) TSHRALDH1A1GAAPLK1TP53
SCHEMBL6850067 0.79 PLK1 (0.39) TSHRALDH1A1GAAMAPK1PLK1
SCHEMBL6850070 0.79 PLK1 (0.39) TSHRALDH1A1GAAMAPK1PLK1
SCHEMBL6855310 0.79 PLK1 (0.37) TSHRALDH1A1PLK1LMNA
SCHEMBL6854846 0.79 SMN1; SMN2 (0.46) TSHRALDH1A1MAPK1PLK1LMNA

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