SCHEMBL6854087

SCHEMBL6854087

CC(=O)Oc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK8 P45983 1/20 0.37
THRB P10828 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TNF P01375 1/20 0.34
RAB9A P51151 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL6854048 0.89 PIK3R1 (0.46) TP53MAPTALDH1A1NPSR1MAPK8
SCHEMBL6854071 0.86 TP53 (0.41) TP53MAPTALDH1A1TSHRHPGD
SCHEMBL6854439 0.86 MAPT (0.51) TP53MAPTALDH1A1TSHRHPGD
SCHEMBL6854442 0.86 MAPK8 (0.49) TP53MAPTALDH1A1HPGDMAPK8
SCHEMBL6853738 0.86 TP53 (0.38) TP53MAPTALDH1A1TSHRHPGD
SCHEMBL6854059 0.85 MAPT (0.38) TP53MAPTALDH1A1TSHRHPGD
SCHEMBL6850043 0.85 ALDH1A1 (0.40) TP53MAPTALDH1A1TSHRHPGD
SCHEMBL6850222 0.85 MAPT (0.44) TP53MAPTALDH1A1TSHRLMNA
SCHEMBL6850033 0.85 TP53 (0.39) TP53MAPTALDH1A1TSHRHPGD
SCHEMBL6850131 0.84 LMNA (0.43) TP53MAPTALDH1A1TSHRLMNA

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 9 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
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
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