SCHEMBL6855322

SCHEMBL6855322

O=c1c2cc(Cl)ccc2n2c(N3CCCCCC3)nnc2n1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TP53 P04637 3/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 4/20 0.42
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL6853905 0.94 L3MBTL1 (0.47) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6850175 0.90 L3MBTL1 (0.44) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6996136 0.90 MAPT (0.51) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6855333 0.90 L3MBTL1 (0.55) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6853858 0.90 L3MBTL1 (0.55) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6854097 0.89 L3MBTL1 (0.42) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6856899 0.89 L3MBTL1 (0.43) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6850025 0.89 ALDH1A1 (0.47) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6856185 0.89 L3MBTL1 (0.45) ALDH1A1TP53KDM4EHTTMAPT
SCHEMBL6854118 0.89 L3MBTL1 (0.56) ALDH1A1TP53KDM4EHTTMAPT

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-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
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
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 disclosed
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 disclosed