SCHEMBL6463477

SCHEMBL6463477

Cl[Hg].O=C(Nc1ncnc2nc[nH]c12)c1ccccc1

nearest known ligand 0.92

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.92
NT5C2 P49902 2/20 0.79
NT5E P21589 1/20 0.76
CREBBP Q92793 1/20 0.69
BTK Q06187 1/20 0.56
TOP2A P11388 2/20 0.56
BRAF P15056 1/20 0.54

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
SCHEMBL29514799 0.96 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL23124 0.96 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL8381776 0.95 BRD4 (0.97) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL9230081 0.82 BRD4 (1.00) BRD4NT5C2NT5ECREBBP
SCHEMBL23683051 0.82 CREBBP (1.00) BRD4NT5C2NT5ECREBBPTOP2A
SCHEMBL6463473 0.80 BRD4 (0.60) BRD4NT5C2NT5ECREBBP
SCHEMBL5694204 0.79 BRD4 (0.66) BRD4NT5C2NT5ECREBBP
SCHEMBL3038563 0.78 NPC1 (0.76) BRD4NT5C2NT5ECREBBPTOP2A
SCHEMBL22118772 0.78 BRD4 (0.68) BRD4NT5C2NT5ECREBBPTOP2A
SCHEMBL10644711 0.78 BRD4 (0.68) BRD4NT5C2NT5ECREBBPTOP2A

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
CN-104193791-A Modified 2' and 3'-nucleoside produgs for treating flaviridae infections IDENIX PHARMACEUTICALS INC (US) 2014-12-10 CN disclosed
CN-104163841-A 2' and 3'-nucleoside prodrugs for treating flaviviridae infections IDENIX PHARMACEUTICALS INC (US) 2014-11-26 CN disclosed
CN-103319554-A Modified 2' and 3' -nucleoside produgs for treating flaviridae infections IDENIX CAYMAN LTD (KY) 2013-09-25 CN disclosed
CN-103275159-A Modified 2' and 3' -nucleoside produgs for treating flaviridae infections CENTRE NAT RECH SCIENT (FR) 2013-09-04 CN disclosed
CN-101099745-A Methods and compositions for treating flaviviruses and pestiviruses IDENIX CAYMAN LTD (VG) 2008-01-09 CN disclosed
CN-1315862-C Methods and compositions for treating flaviviruses and pestiviruses NOVIRIO PHARMACEUTICALS LTD (VG) 2007-05-16 CN disclosed
EP-1523489-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS Idenix (Cayman) Limited (KY) 2005-04-20 EP disclosed
CN-1468249-A Methods and compositions for treating flaviviruses and pestiviruses 2004-01-14 CN disclosed
WO-2004002999-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
EP-1294735-A2 METHODS AND COMPOSITIONS FOR TREATING FLAVIVIRUSES AND PESTIVIRUSES Novirio Pharmaceuticals Limited (KY) 2003-03-26 EP disclosed
WO-2001092282-A2 METHODS AND COMPOSITIONS FOR TREATING FLAVIVIRUSES AND PESTIVIRUSES IDENIX (CAYMAN) LIMITED (KY) 2001-12-06 WO disclosed
US-4282349-A Crystalline ribofuranosyl halides and other derivatives and methods for producing same BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1981-08-04 US disclosed