SCHEMBL6854048

SCHEMBL6854048

COc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
MAPK8 P45983 1/20 0.42
THRB P10828 1/20 0.41
PDE1B Q01064 7/20 0.41
PDE1C Q14123 6/20 0.41
PDE1A P54750 5/20 0.41
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6850259 0.93 MAPT (0.41) PIK3R1PIK3CAMAPTTP53MAPK8
SCHEMBL6854439 0.89 MAPT (0.51) MAPTTP53THRBNPSR1ALDH1A1
SCHEMBL6854087 0.89 TP53 (0.38) PIK3R1PIK3CAMAPTTP53MAPK8
SCHEMBL6854057 0.89 MAPT (0.42) MAPTTP53HSP90AA1NPSR1KMT2A
SCHEMBL6858383 0.89 MAPT (0.45) MAPTTP53THRBPDE1BPDE1C
SCHEMBL6850222 0.88 MAPT (0.44) MAPTTP53KMT2AALDH1A1
SCHEMBL6854129 0.88 MAPT (0.41) MAPTTP53HSP90AA1NPSR1KMT2A
SCHEMBL6855972 0.88 MAPT (0.41) MAPTTP53HSP90AA1NPSR1KMT2A
SCHEMBL6849963 0.87 MAPT (0.39) MAPTTP53MAPK8NPSR1ALDH1A1
SCHEMBL6850131 0.87 LMNA (0.43) MAPTTP53PDE1BKMT2AALDH1A1

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 12 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-B1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2001-02-15 WO 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
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US disclosed
WO-2002022112-A9 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING A DISEASE ASSOCIATED WITH AN EXCESS OF IL-12 PRODUCTION WARNER LAMBERT CO (US) 2002-06-06 WO disclosed
EP-1199074-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of il-12 production WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1188438-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of Il-12 production WARNER-LAMBERT COMPANY (US) 2002-03-20 EP disclosed