SCHEMBL441545

SCHEMBL441545

COc1nc(C)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.43
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 4/20 0.39
PIK3CA P42336 5/20 0.35
HRH4 Q9H3N8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 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
SCHEMBL30562916 1.00 HSP90AB1 (0.43) HSP90AB1GAAHTTTP53POLB
Fluoride SCHEMBL31379739 0.98 HSP90AB1 (0.41) HSP90AB1GAAHTTTP53POLB
SCHEMBL1576395 0.84 TSHR (0.44) GAAHTTTP53POLBTSHR
SCHEMBL138352 0.84 HSD17B10 (0.44) GAAHTTTP53POLBTSHR
SCHEMBL8844371 0.81 GAA (0.47) GAAHTTTSHRALDH1A1
SCHEMBL1131131 0.81 GAA (0.47) GAAHTTTSHRALDH1A1SMN1; SMN2
Methoxymethane SCHEMBL3858154 0.78 HSP90AB1 (0.50) HSP90AB1HTTHSD17B10HSP90AA1HRH4
SCHEMBL3132522 0.78 HSP90AB1 (0.41) HSP90AB1HTTHSP90AA1HRH4NPC1
SCHEMBL1131137 0.75 HSP90AA1 (0.44) HSP90AB1POLBTSHRHSP90AA1PIK3CA
SCHEMBL9599405 0.74 TSHR (0.39) HSP90AB1TSHRHSP90AA1PIK3CANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059962-A1 ALS INHIBITOR SULFONYLUREA HERBICIDES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 成都新朝阳作物科学股份有限公司 2025-03-27 WO claimed
WO-2025013869-A1 FLUORINE-CONTAINING POLYMER HAVING NITROGEN-CONTAINING AROMATIC RING, PRODUCTION METHOD THEREFOR, AND COMPOSITION THEREOF ダイキン工業株式会社 2025-01-16 WO claimed
CN-118879056-A Halogen-free flame-retardant polycarbonate composite material and preparation method thereof 南京林业大学 2024-11-01 CN claimed
CN-118834325-A Acrylic ester polymer emulsion, preparation method and application 北京慕湖外加剂有限公司 2024-10-25 CN claimed
CN-118791440-A Preparation method of synthetic intermediate for sulfonylurea herbicide 甘肃瑞东化工有限公司 2024-10-18 CN claimed
CN-118772631-A Fusible intumescent flame retardant composition QED实验室公司 2024-10-15 CN claimed
CN-118771615-A Polyhydroxy heterocyclic compound sulfur eliminating agent 中海石油(中国)有限公司天津分公司 2024-10-15 CN claimed
CN-115504448-B Preparation method of phosphorus pentafluoride carbonate complex and co-production of sodium hexafluorophosphate 山东中顼技术研究有限公司 2024-06-21 CN claimed
US-11932765-B2 Meltable intumescent flame retardant compositions QED LABS, INC. (US) 2024-03-19 US claimed
US-20230331986-A1 MELTABLE INTUMESCENT FLAME RETARDANT COMPOSITIONS QED LABS INC (US) 2023-10-19 US claimed
CN-111363154-A Preparation method, application and decoloring method of polyphosphazene microspheres containing amino 南华大学上虞高等研究院有限公司 2020-07-03 CN claimed
EP-3545031-A1 MELTABLE INTUMESCENT FLAME RETARDANT COMPOSITIONS QED Labs Inc (US) 2019-10-02 EP claimed
CN-110234694-A Intumescent flame retardant compositions QED实验室公司 2019-09-13 CN claimed
WO-2018098408-A1 MELTABLE INTUMESCENT FLAME RETARDANT COMPOSITIONS QED LABS, INC. (US) 2018-05-31 WO claimed
CN-104387334-A Synthetic process of 2-amino-4-methoxy-6-methyl s-triazine UNIV HENAN NORMAL 2015-03-04 CN claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
US-5070199-A Process for the preparation of 2-amino-4-methyl-6-methoxy-1,3,5-triazine E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-03 US claimed
US-4954628-A HERBICIDES, PLANT GROWTH REGULATORS, PHARMACEUTICALS NITROKAELEPEK (HU) 1990-09-04 US claimed
EP-0074595-B1 SUBSTITUTED PHENYLSULFONYL UREA DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-07-23 EP claimed
US-4587337-A Process for the preparation of 2-amino-s-triazines SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1986-05-06 US claimed