SCHEMBL5898

SCHEMBL5898

Nc1nc2c(c(=S)[nH]1)[N]C=N2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MASP2 O00187 1/20 0.31
MEN1 O00255 1/20 0.31
NUDT1 P36639 1/20 0.31
KMT2A Q03164 1/20 0.31
AOC3 Q16853 1/20 0.31
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
HPGD P15428 1/20 0.30
PTGS1 P23219 1/20 0.30
MAPK3 P27361 1/20 0.30
XDH P47989 1/20 0.30
HBB P68871 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9667465 0.85 USP2 (0.30) ALDH1A1USP2TP53ADORA3HPGD
SCHEMBL2790086 0.64 TDP1 (0.31)
SCHEMBL6322394 0.63 DCPS (0.30)
SCHEMBL6323165 0.60 DPP4 (0.32)
SCHEMBL1627470 0.60 PI4KA (0.31) XDH
SCHEMBL30379561 0.56 NUDT1 (0.46) ALDH1A1MEN1NUDT1KMT2AUSP2
SCHEMBL29061394 0.56 ALDH1A1 (0.38) ALDH1A1KMT2AUSP2TP53ADORA3
SCHEMBL27053802 0.56 NPSR1 (0.35) ALDH1A1USP2TP53ADORA3HPGD
Thioguanine SCHEMBL3701 0.54 PNP (0.62) ALDH1A1MEN1KMT2AUSP2TP53
SCHEMBL9667463 0.54 CYP3A4 (0.31) ALDH1A1USP2TP53ADORA3HPGD

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 184 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049125-A2 TREATMENT OF CANCER WITH 2-DEOXYGALACTOSE Landau, Bernard R. (US) 2009-04-22 EP claimed
WO-2007098183-A2 TREATMENT OF CANCER WITH 2-DEOXYGALACTOSE LANDAU BERNARD R (US) 2007-08-30 WO claimed
EP-3990494-A1 IL1RAP BINDING PROTEINS GlaxoSmithKline Intellectual Property Development Limited (GB) 2022-05-04 EP disclosed
EP-3917963-A1 BELANTAMAB MAFODOTIN IN COMBINATION WITH PEMBROLIZUMAB FOR TREATING CANCER GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-12-08 EP disclosed
EP-3917964-A1 COMBINATION TREATMENTS FOR CANCER COMPRISING BELANTAMAB MAFODOTIN AND AN ANTI OX40 ANTIBODY AND USES AND METHODS THEREOF GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-12-08 EP disclosed
WO-2021018941-A1 METHODS OF TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-04 WO disclosed
WO-2020261097-A1 IL1RAP BINDING PROTEINS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 WO disclosed
WO-2020160375-A9 COMBINATION TREATMENTS FOR CANCER COMPRISING BELANTAMAB MAFODOTIN AND AN ANTI OX40 ANTIBODY AND USES AND METHODS THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 WO disclosed
WO-2020160365-A1 BELANTAMAB MAFODOTIN IN COMBINATION WITH PEMBROLIZUMAB FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-08-06 WO disclosed
WO-2020160375-A1 COMBINATION TREATMENTS FOR CANCER COMPRISING BELANTAMAB MAFODOTIN AND AN ANTI OX40 ANTIBODY AND USES AND METHODS THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-08-06 WO disclosed
WO-2020030570-A1 COMBINATIONS OF AN OX40 ANTIBODY AND A TLR4 MODULATOR AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-02-13 WO disclosed
WO-2005086951-A2 HYPOXIA-ACTIVATED ANTI-CANCER AGENTS THRESHOLD PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005079192-A2 NOVEL TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2005-09-01 WO disclosed
WO-2005065668-A2 TOPICAL COMPOSITIONS COMPRISING HALO-DEOXYADENOSINES FOR TREATMENT OF SKIN DISORDERS QLT USA, INC. (US) 2005-07-21 WO disclosed
WO-2005034873-A2 A METHOD FOR REDUCING ANTI-NEOPLASTIC AGENT INDUCED SIDE-EFFECTS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-21 WO disclosed
WO-2004087075-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2004-10-14 WO disclosed
WO-2004062604-A2 TREATMENT OF CANCER WITH 2-DEOXYGLUCOSE THRESHOLD PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed
WO-2004037200-A2 RETICULOCYTE DEPLETION SIGNATURES ICONIX PHARMACEUTICALS, INC. (US) 2004-05-06 WO disclosed
WO-2003082301-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed
WO-2003072043-A2 A METHOD OF RECUDING ANTI-NEOPLASTIC AGENT INDUCED SIDE EFFECTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-04 WO disclosed