SCHEMBL6854967

SCHEMBL6854967

O=c1c2cc(Br)ccc2n2c(N3CCCC3)nnc2n1Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.37
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.33
AGTR1 P30556 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 2/20 0.31
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 2/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
UBE2N P61088 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6850125 0.81 L3MBTL1 (0.48) PLK1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL6855741 0.81 PLK1 (0.41) PLK1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL6850222 0.81 MAPT (0.44) PLK1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL6850007 0.81 L3MBTL1 (0.47) PLK1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL6854145 0.81 L3MBTL1 (0.47) PLK1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL6849963 0.80 MAPT (0.39) PLK1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL6850131 0.80 LMNA (0.43) PLK1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL6854071 0.80 TP53 (0.41) PLK1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL6855405 0.80 ALDH1A1 (0.48) PLK1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL6854439 0.80 MAPT (0.51) PLK1TSHRLMNAALDH1A1L3MBTL1

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 10 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
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
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
EP-0751948-B1 NOVEL PHOSPHORAMIDATE AND PHOPHOROTHIOAMIDATE OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2002-09-25 EP disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed