SCHEMBL6850179

SCHEMBL6850179

COC(=O)c1ccc(C(N(C)C)n2c(=O)c3cc(Br)ccc3n3cnnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.36
MAPK8 P45983 2/20 0.35
KAT2B Q92831 1/20 0.34
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK10 P53779 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
FGFR1 P11362 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6854445 0.84 SLC6A2 (0.35) ELANEMAPK8MMP2MMP9MMP8
SCHEMBL6854433 0.82 PIK3R1 (0.36) SMN1; SMN2
SCHEMBL6850159 0.74 SLC6A2 (0.35) L3MBTL1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6856311 0.72 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL6850047 0.67 HPGD (0.32) MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6854036 0.65 SMN1; SMN2 (0.43) MAPTALDH1A1FGFR1SMN1; SMN2NPC1
SCHEMBL6854989 0.64 PIK3R1 (0.33) USP2
SCHEMBL6850174 0.64 MAPK8 (0.51) MAPK8MAPK10MAPTALDH1A1SMN1; SMN2
SCHEMBL28480224 0.62 ELANE (0.48) ELANEMAPK8MMP2MMP9MMP8
SCHEMBL7623 0.59 CA1 (0.64) L3MBTL1MAPTALDH1A1RAB9A

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