SCHEMBL6855405

SCHEMBL6855405

O=c1c2cc(Br)ccc2n2c(N3CCCC3)nnc2n1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
PLK1 P53350 4/20 0.42
IDO1 P14902 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL6850025 0.99 ALDH1A1 (0.47) ALDH1A1TP53MAPTNPSR1KDM4E
SCHEMBL6850222 0.91 MAPT (0.44) ALDH1A1TP53MAPTKDM4EHTT
SCHEMBL6850131 0.90 LMNA (0.43) ALDH1A1TP53MAPTKDM4EHTT
SCHEMBL6854439 0.90 MAPT (0.51) ALDH1A1TP53MAPTNPSR1KDM4E
SCHEMBL6849963 0.90 MAPT (0.39) ALDH1A1TP53MAPTNPSR1KDM4E
SCHEMBL6854071 0.90 TP53 (0.41) ALDH1A1TP53MAPTNPSR1KDM4E
SCHEMBL6850125 0.90 L3MBTL1 (0.48) ALDH1A1TP53MAPTKDM4EHTT
SCHEMBL6854145 0.89 L3MBTL1 (0.47) ALDH1A1TP53MAPTKDM4EHTT
SCHEMBL6850007 0.89 L3MBTL1 (0.47) ALDH1A1TP53MAPTKDM4EHTT
SCHEMBL6855322 0.88 ALDH1A1 (0.48) ALDH1A1TP53MAPTNPSR1KDM4E

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 11 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
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