SCHEMBL6856530

SCHEMBL6856530

O=c1c2cc(Br)ccc2n2c(N3CCCCCC3)nnc2n1C/C=C/c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.38
LMNA P02545 5/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 5/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 6/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
GPR55 Q9Y2T6 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
SCHEMBL6856532 1.00 PLK1 (0.38) PLK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6856178 1.00 PLK1 (0.38) PLK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6855779 1.00 PLK1 (0.38) PLK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6850070 0.99 PLK1 (0.39) PLK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6850067 0.99 PLK1 (0.39) PLK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6858253 0.92 PLK1 (0.34) PLK1LMNASMN1; SMN2MEN1RAD52
SCHEMBL6855978 0.92 PLK1 (0.34) PLK1LMNASMN1; SMN2MEN1RAD52
SCHEMBL6850026 0.91 TP53 (0.34) PLK1LMNANPSR1MAPTGAA
SCHEMBL6850024 0.91 TP53 (0.34) PLK1LMNANPSR1MAPTGAA
SCHEMBL6850319 0.91 PLK1 (0.35) PLK1LMNATSHRALDH1A1

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