SCHEMBL6463473

SCHEMBL6463473

Cl[Hg].O=C(Nc1ncnc2[nH]cnc12)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.60
NT5C2 P49902 2/20 0.52
NT5E P21589 1/20 0.50
EGFR P00533 2/20 0.48
AURKB Q96GD4 2/20 0.48
PDPK1 O15530 1/20 0.46
CREBBP Q92793 1/20 0.46
INCENP Q9NQS7 1/20 0.44
CSF1R P07333 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HTT P42858 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL23123 0.96 BRD4 (0.64) BRD4NT5C2NT5EEGFRAURKB
SCHEMBL8381773 0.94 BRD4 (0.63) BRD4NT5C2NT5EEGFRAURKB
SCHEMBL16618808 0.88 NT5C2 (0.67) BRD4NT5C2NT5EEGFRAURKB
SCHEMBL16619108 0.86 NT5C2 (0.69) BRD4NT5C2NT5EEGFRAURKB
SCHEMBL2623134 0.83 KCNQ3 (0.51) BRD4NT5C2NT5EAURKBCREBBP
SCHEMBL2623133 0.82 BRD4 (0.49) BRD4NT5C2CREBBPNPC1RAB9A
SCHEMBL9230078 0.82 BRD4 (0.68) BRD4ADORA3NPC1RAB9A
SCHEMBL16619414 0.81 NPC1 (0.48) BRD4NT5C2NT5ENPC1RAB9A
SCHEMBL14192926 0.80 CSF1R (0.51) BRD4NT5C2NT5EEGFRAURKB
SCHEMBL6463477 0.80 BRD4 (0.92) BRD4NT5C2NT5ECREBBP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523489-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS Idenix (Cayman) Limited (KY) 2005-04-20 EP 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