SCHEMBL150058

SCHEMBL150058

Cc1nc(-c2nc[nH]n2)ccc1Br

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Tert-Butyl Formate SCHEMBL27887229 0.86 TDP1 (0.33)
SCHEMBL22053002 0.73 HTR7 (0.34)
SCHEMBL1963283 0.71 TDP1 (0.38)
SCHEMBL22136207 0.70 NPC1 (0.33)
SCHEMBL32675754 0.70 NPC1 (0.33)
SCHEMBL155254 0.69 METAP2 (0.36)
SCHEMBL481728 0.69 S1PR1 (0.44)
SCHEMBL29522437 0.67 ALOX5AP (0.35)
SCHEMBL153022 0.67 ALOX5AP (0.35)
SCHEMBL8731856 0.67 RAB9A (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398121-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2025-08-26 US disclosed
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-11-28 US disclosed
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
US-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2023-04-20 US disclosed
US-20230122310-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2023-04-20 US disclosed
US-11292796-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2022-04-05 US disclosed
CN-106117213-B Heteroaryl compounds and methods for their synthesis and purification 西格诺药品有限公司 2022-03-18 CN disclosed
CN-112566666-A Compounds targeting anti-cancer nuclear hormone receptors 努瓦申生物公司 2021-03-26 CN disclosed
EP-3793608-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2021-03-24 EP disclosed
US-20200262840-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2020-08-20 US disclosed
CN-102686225-A Process for synthesis and purification of heteroaryl compounds SIGNAL PHARM LLC 2012-09-19 CN disclosed
EP-2493472-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2012-09-05 EP disclosed
US-20120071658-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY PERRIN-NINKOVIC SOPHIE (US) 2012-03-22 US disclosed
US-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY PERRIN-NINKOVIC SOPHIE (US) 2012-03-08 US disclosed
US-8110578-B2 Pyrazino[2,3-b]pyrazine mTOR kinase inhibitors for oncology indications and diseases associated with the mTOR/PI3K/Akt pathway SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-07 US disclosed
EP-2358718-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY Signal Pharmaceuticals, LLC (US) 2011-08-24 EP disclosed
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-06-09 US disclosed
WO-2011053518-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2011-05-05 WO disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO disclosed