SCHEMBL307846

SCHEMBL307846

CNc1cc(C)ccn1

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
SCHEMBL30496405 1.00
SCHEMBL2912518 0.83 KDR (0.57)
SCHEMBL21241163 0.82 KMT2A (0.50)
SCHEMBL10138664 0.79
SCHEMBL2642867 0.79
SCHEMBL31251666 0.79
SCHEMBL18469872 0.79
SCHEMBL960313 0.79
Hydrochloric Acid SCHEMBL961904 0.77 KMT2A (0.50)
SCHEMBL2686515 0.76 TYK2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145259-A2 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2024-07-04 WO disclosed
EP-3705480-B1 CLASS OF AMINO-SUBSTITUTED NITROGEN-CONTAINING FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO LTD (CN) 2024-02-28 EP disclosed
WO-2024015055-A1 PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-SULFONAMIDE DERIVATIVES FOR THE INHIBITION OF SGK-1 AND TREATMENT OF CANCER THRYV THERAPEUTICS INC. (CA) 2024-01-18 WO disclosed
WO-2024015761-A2 GΑLPHA12 INHIBITORS AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-01-18 WO disclosed
CN-117247331-A Dibenzylbutane type lignan analogue and application thereof 中国人民解放军海军军医大学 2023-12-19 CN disclosed
CN-112204006-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-11-28 CN disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
EP-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed
US-20060173019-A1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. 2006-08-03 US disclosed
WO-2006076644-A2 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. (US) 2006-07-20 WO disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
WO-2005058822-A1 SUBSTITUTED AMINO-CYCLOALKANES ACTELION PHARMACEUTICALS LTD (CH) 2005-06-30 WO disclosed
WO-2005051901-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2005-06-09 WO disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
EP-0318851-A2 Labdane derivatives, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-07 EP disclosed
US-4554012-A HERBICIDES TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-11-19 US disclosed