SCHEMBL1531439

SCHEMBL1531439

[C]1NCCc2[nH]cnc21

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
SCHEMBL2244055 0.67
SCHEMBL2243725 0.67 TDP1 (0.36)
SCHEMBL1593030 0.61
SCHEMBL550173 0.61 ADRA1A (0.40)
SCHEMBL2115153 0.60
SCHEMBL1592804 0.60
Hydrochloric Acid SCHEMBL11515823 0.58 RAB9A (0.35)
SCHEMBL4004258 0.56 RAB9A (0.56)
SCHEMBL399938 0.55
SCHEMBL2045175 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197213-A Compound serving as autotaxin inhibitor and preparation method and application thereof 上海济煜医药科技有限公司 2022-10-18 CN claimed
US-20220062240-A1 METHODS OF TREATING CANCER USING A CLK INHIBITOR VICKERS VENTURE FUND VI PTE. LTD. (SG) 2022-03-03 US claimed
EP-3813826-A1 METHODS OF TREATING CANCER USING A CLK INHIBITOR Samumed, LLC (US) 2021-05-05 EP claimed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO claimed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US claimed
EP-2817310-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4]TRIAZOLO [1, 5 -A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS Merck Patent GmbH (DE) 2014-12-31 EP claimed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 US claimed
WO-2013124026-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-08-29 WO claimed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO claimed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US claimed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP claimed
WO-2006130426-A2 MODULATORS OF CCR-5 ACTIVITY KEMIA, INC. (US) 2006-12-07 WO claimed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO claimed
CN-118307623-A Steroid compound, application thereof and pharmaceutical composition containing steroid compound 北京华睿鼎信科技有限公司 2024-07-09 CN disclosed
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP disclosed
EP-4384169-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE Arena Pharmaceuticals, Inc. (US) 2024-06-19 EP disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed