Thioguanine

Thioguanine

SCHEMBL183648

Nc1nc(S)c2[nH]cnc2n1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

IMPDH1IMPDH2

The experimentally established mechanism targets of Thioguanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.66
▸ GDA Q9Y2T3 1/20 0.66
▸ CDK2 P24941 12/20 0.61
▸ DPP4 P27487 1/20 0.61
▸ MAP3K5 Q99683 1/20 0.56
▸ CDK1 P06493 12/20 0.51
▸ CCNB1 P14635 12/20 0.51
▸ CCNA2 P20248 11/20 0.51
▸ CCNA1 P78396 11/20 0.51
▸ MGMT P16455 5/20 0.49
▸ PIN1 Q13526 2/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
Thioguanine SCHEMBL9153902 0.86 PDPK1 (0.63) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL1275417 0.79 PDPK1 (0.44) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL24053 0.79 PDPK1 (1.00) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL27891733 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL8757979 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL28206545 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL833645 0.76 GDA (0.41) PDPK1GDACDK2DPP4MAP3K5
6-Chloroguanine SCHEMBL64059 0.76 DPP4 (1.00) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL16146853 0.76 PDPK1 (0.41) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL135690 0.76 CDK2 (1.00) PDPK1GDACDK2DPP4MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118931997-A Method for synthesizing adenosine and/or uridine by three-enzyme cascade catalysis 上海飞腾医药科技有限公司 2024-11-12 — — CN claimed
CN-118525862-A Gold nanoparticle and preparation method and application thereof 佛山鲲鹏现代农业研究院 2024-08-23 — — CN claimed
CN-116333706-B Corrosion inhibitor system for acidification with temperature resistance of 180 ℃ and preparation method and application thereof 中国石油天然气股份有限公司 2024-06-14 — — CN claimed
CN-117384259-A Cell penetrating peptides based on influenza virus M2 proteins 中国医学科学院基础医学研究所 2024-01-12 — — CN claimed
CN-112912386-B Cell penetrating peptides based on influenza virus M2 proteins 中国医学科学院基础医学研究所 2023-10-20 — — CN claimed
CN-116333706-A Corrosion inhibitor system for acidification with temperature resistance of 180 ℃ and preparation method and application thereof 中国石油天然气股份有限公司 2023-06-27 — — CN claimed
US-20220169680-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN INSTITUTE OF BASIC MEDICAL SCIENCES CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2022-06-02 — — US claimed
CN-107412780-B Antibacterial agent based on gold nanoparticle surface modified nitrogen heterocyclic micromolecules 国家纳米科学中心 2022-04-15 — — CN claimed
EP-3912989-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN Institute of Basic Medical Sciences Chinese Academy of Medical Sciences (CN) 2021-11-24 — — EP claimed
CN-110408968-B Chemical plating solution and preparation method and application thereof 中国科学院深圳先进技术研究院 2021-11-05 — — CN claimed
WO-1994015622-A1 NUCLEOSIDE DERIVATIVES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS CAMBRIDGE NEUROSCIENCE (US) 1994-07-21 — — WO claimed
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 — — US claimed
EP-0540686-A4 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1993-05-26 — — EP claimed
EP-0540686-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES. US COMMERCE (US) 1993-05-12 — — EP claimed
US-5126439-A Complementary purines and pyrimidines TEMPLE UNIVERSITY (US) 1992-06-30 — — US claimed
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 — — WO claimed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 — — EP claimed
WO-1991006645-A1 PROCESS FOR MUTAGENESIS OF DOUBLE-STRAND CIRCULAR DNA MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1991-05-16 — — WO claimed
EP-0098122-B1 PROCESSES FOR PRODUCING L-PROLINE BY FERMENTATION KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-05-31 — — EP claimed
EP-0098122-A2 Processes for producing L-proline by fermentation KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-01-11 — — EP claimed
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