SCHEMBL6854112

SCHEMBL6854112

O=c1c2cc(Br)ccc2n2c(N3CCCC3)nnc2n1CCSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
TSHR P16473 7/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 1/20 0.35
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCR3 P51677 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6854093 0.85 TSHR (0.44) PLK1TSHRGAAALDH1A1MAPT
SCHEMBL6850125 0.83 L3MBTL1 (0.48) PLK1TSHRALDH1A1MAPTTP53
SCHEMBL6855741 0.83 PLK1 (0.41) PLK1TSHRALDH1A1CCR3LMNA
SCHEMBL6854145 0.82 L3MBTL1 (0.47) PLK1TSHRALDH1A1MAPTTP53
SCHEMBL6850007 0.82 L3MBTL1 (0.47) PLK1TSHRALDH1A1MAPTTP53
SCHEMBL6850094 0.81 ALDH1A1 (0.43) PLK1TSHRGAAALDH1A1MAPT
SCHEMBL6850067 0.79 PLK1 (0.39) PLK1TSHRGAAALDH1A1MAPT
SCHEMBL6850070 0.79 PLK1 (0.39) PLK1TSHRGAAALDH1A1MAPT
SCHEMBL6855310 0.79 PLK1 (0.37) PLK1TSHRALDH1A1LMNA
SCHEMBL6854846 0.79 SMN1; SMN2 (0.46) PLK1TSHRALDH1A1MAPTLMNA

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