SCHEMBL6854084

SCHEMBL6854084

N#Cc1cccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 3/20 0.47
PIK3CA P42336 3/20 0.47
DPP4 P27487 4/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.40
CYP3A4 P08684 2/20 0.39
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
PARG Q86W56 1/20 0.38
PLK1 P53350 1/20 0.37
CFTR P13569 1/20 0.37
CLPP Q16740 1/20 0.37
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 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
SCHEMBL6854981 0.90 PIK3R1 (0.45) PIK3R1PIK3CADPP4TSHRLMNA
SCHEMBL6854824 0.89 PIK3R1 (0.44) PIK3R1PIK3CADPP4TSHRLMNA
SCHEMBL6855837 0.89 PIK3R1 (0.44) PIK3R1PIK3CADPP4TSHRLMNA
SCHEMBL6854500 0.87 L3MBTL1 (0.46) DPP4TSHRLMNACYP3A4BRD4
SCHEMBL6850125 0.87 L3MBTL1 (0.48) DPP4TSHRLMNACYP3A4L3MBTL1
SCHEMBL7526733 0.86 PIK3R1 (0.42) PIK3R1PIK3CADPP4TSHRLMNA
SCHEMBL6854145 0.86 L3MBTL1 (0.47) DPP4TSHRLMNACYP3A4L3MBTL1
SCHEMBL6850007 0.86 L3MBTL1 (0.47) DPP4TSHRLMNACYP3A4L3MBTL1
SCHEMBL7529993 0.83 PIK3R1 (0.40) PIK3R1PIK3CADPP4TSHRLMNA
SCHEMBL7146999 0.83 PIK3R1 (0.40) PIK3R1PIK3CADPP4TSHRLMNA

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