SCHEMBL29400765

SCHEMBL29400765

Nc1nc(N)c(N)c(O)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CASP1 P29466 1/20 0.32
PIK3CG P48736 1/20 0.31
PDPK1 O15530 1/20 0.31
DCPS Q96C86 1/20 0.31
ADORA2A P29274 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Hydrochloric Acid SCHEMBL30706492 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
SCHEMBL28067039 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
SCHEMBL28837049 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
SCHEMBL6943391 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
Hydrochloric Acid SCHEMBL19858970 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
Hydrogen Sulfide SCHEMBL28177577 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
Hydrochloric Acid SCHEMBL19858971 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
Hydrochloric Acid SCHEMBL3763676 0.97 CYP1A2 (0.31) CYP1A2CASP1PIK3CGPDPK1DCPS
SCHEMBL6409173 0.90
SCHEMBL5391923 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930544-A 8-Nitrogen mustard phenyl-7H-purine derivative with antitumor activity and preparation method and application thereof 广东海洋大学 2024-11-12 CN claimed
CN-115612699-B Copolymer membrane, and enzymatic self-assembly synthesis method and application thereof in gas-liquid interface 中国科学院天津工业生物技术研究所 2024-10-25 CN claimed
EP-4405366-A1 SILYLATED ORGANOMODIFIED COMPOUNDS Momentive Performance Materials Inc. (US) 2024-07-31 EP claimed
CN-118373825-A Method for recycling formamide solvent in guanine preparation process 武汉爱科特创生物科技有限公司 2024-07-23 CN claimed
CN-118356812-A Ternary polymerization polyamide composite membrane and preparation method and application thereof 南京工业大学 2024-07-19 CN claimed
CN-118339170-A Silylated organomodified compounds 迈图高新材料公司 2024-07-12 CN claimed
CN-115286584-B Preparation method of 2,4, 5-triamino-6-hydroxypyrimidine sulfate 宁波丰谊实业有限公司 2023-12-26 CN claimed
CN-115612403-B Self-assembled strong-adhesion copolymer film, coating method and application 中国科学院天津工业生物技术研究所 2023-12-01 CN claimed
WO-2023215819-A2 ANTIPARASITIC AGENTS AND METHODS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-11-09 WO claimed
WO-2023096809-A1 SILYLATED ORGANOMODIFIED COMPOUNDS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2023-06-01 WO claimed
CN-115612114-A Copolymer membrane and enzymatic self-assembly synthesis method and application thereof 中国科学院天津工业生物技术研究所 2023-01-17 CN claimed
CN-115612403-A Self-assembly strong-adhesion copolymer film, film coating method and application 中国科学院天津工业生物技术研究所 2023-01-17 CN claimed
CN-115286584-A Preparation method of 2,4, 5-triamino-6-hydroxypyrimidine sulfate 宁波丰谊实业有限公司 2022-11-04 CN claimed
CN-118930544-A 8-Nitrogen mustard phenyl-7H-purine derivative with antitumor activity and preparation method and application thereof 广东海洋大学 2024-11-12 CN disclosed
CN-118930544-A 8-Nitrogen mustard phenyl-7H-purine derivative with antitumor activity and preparation method and application thereof 广东海洋大学 2024-11-12 CN disclosed
CN-115612699-B Copolymer membrane, and enzymatic self-assembly synthesis method and application thereof in gas-liquid interface 中国科学院天津工业生物技术研究所 2024-10-25 CN disclosed
CN-114250480-A Reduction method of nitroso-nitro pyrimidine compound 成都化润药业有限公司 2022-03-29 CN disclosed
CN-112390800-B Preparation method of L-erythro biopterin compound 江苏众强药业有限公司 2022-03-11 CN disclosed
CN-113234077-B Synthesis method of 2-amino-6-chloropurine 上海凌凯医药科技有限公司 2022-03-08 CN disclosed
CN-114075234-A Intermediate for preparing L-erythro biopterin compound and preparation method thereof 江苏众强药业有限公司 2022-02-22 CN disclosed