SCHEMBL6855837

SCHEMBL6855837

N#Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCCC4)nnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
CNR2 P34972 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
DPP4 P27487 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
PARG Q86W56 2/20 0.35
TP53 P04637 1/20 0.35
PLK1 P53350 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6854824 1.00 PIK3R1 (0.44) PIK3R1PIK3CALMNATSHRCNR2
SCHEMBL6854981 0.99 PIK3R1 (0.45) PIK3R1PIK3CALMNATSHRCNR2
SCHEMBL7526733 0.96 PIK3R1 (0.42) PIK3R1PIK3CALMNATSHRCNR2
SCHEMBL7146999 0.91 PIK3R1 (0.40) PIK3R1PIK3CALMNATSHRCNR2
SCHEMBL7529993 0.91 PIK3R1 (0.40) PIK3R1PIK3CALMNATSHRCNR2
SCHEMBL7002152 0.90 L3MBTL1 (0.42) LMNAMAPTCYP3A4DPP4L3MBTL1
SCHEMBL6854084 0.89 PIK3R1 (0.47) PIK3R1PIK3CALMNATSHRCNR2
SCHEMBL6850131 0.89 LMNA (0.43) LMNATSHRMAPTL3MBTL1ALDH1A1
SCHEMBL6850124 0.88 MAPT (0.46) PIK3R1PIK3CALMNATSHRMAPT
SCHEMBL6849937 0.88 TP53 (0.39) TSHRMAPTL3MBTL1ALDH1A1KDM4E

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