SCHEMBL2593564

SCHEMBL2593564

COc1cnn(C)c1

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
SCHEMBL1792848 0.76 KDM4C (0.34)
SCHEMBL24921266 0.75 CYP1A1 (0.52)
SCHEMBL20970363 0.75 MKNK1 (0.39)
SCHEMBL20970328 0.75 KDM4C (0.33)
SCHEMBL21888512 0.75
SCHEMBL25669928 0.75
SCHEMBL5990507 0.74 CLK1 (0.51)
SCHEMBL22168092 0.73
SCHEMBL11190938 0.73
SCHEMBL24921474 0.73 FGFR3 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124471-A Pyrazole ring explosive with high-energy and low-melting-point characteristics and synthesis method thereof 中国工程物理研究院化工材料研究所 2022-09-30 CN claimed
CN-116874466-B N-substituted dioxocyclobutylamino-3-hydroxy-pyridinecarboxamides as CCR6 inhibitors PFIZER INC. (US) 2026-05-26 CN disclosed
CN-121974854-A Synthesis method of fusion casting carrier explosive 4-methoxy-1-methyl-3, 5-dinitropyrazole 西北工业大学 2026-05-05 CN disclosed
US-12312344-B2 N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors PFIZER INC. (US) 2025-05-27 US disclosed
US-20240368144-A1 N-SUBSTITUTED-DIOXOCYCLOBUTENYLAMINO-3-HYDROXY-PICOLINAMIDES USEFUL AS CCR6 INHIBITORS PFIZER INC. (US) 2024-11-07 US disclosed
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 US disclosed
CN-117794529-A POLO-like kinase 4 inhibitors 欧瑞克制药公司 2024-03-29 CN disclosed
CN-115124471-B Pyrazole ring explosive with high energy and low melting point characteristics and synthesis method thereof 中国工程物理研究院化工材料研究所 2024-02-13 CN disclosed
EP-3842433-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
EP-3741756-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
US-6288181-B1 CATALYSIS WITH TRANSITION METAL METALLOCENE COMPOUND AND ETHER; REDUCING ELECTROSTATIC CHARGE EASTMAN CHEMICAL COMPANY 2001-09-11 US disclosed
US-6271321-B1 CATALYTIC POLYMERIZATION OR COPOLYMERIZATION OF ETHYLENE AND OLEFIN MONOMERS EASTMAN CHEMICAL COMPANY 2001-08-07 US disclosed
WO-2000052068-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO disclosed
WO-2000052067-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO disclosed
US-4402727-A Substituted azolylalkyl phenoxyphenoxyalkane-carboxylates as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1983-09-06 US disclosed
US-4382947-A INSECTICIDES, MITICIDES, NEMATOCIDES, PARACITICIDES; VETERINARY MEDICINE; AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1983-05-10 US disclosed
EP-0023326-B1 N-METHYL-0-PYRAZOL(4)YL-CARBAMIC ACID ESTERS, PROCESS FOR THEIR SYNTHESIS AND THEIR USE AS PESTICIDES BAYER AG (DE) 1982-05-26 EP disclosed
US-4315008-A Combating pests with O-ethyl-S-n-propyl-O-(1-substituted-pyrazol-4-yl)-(thiono)-thiolphosphoric acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
EP-0012344-B1 O-PYRAZOL-4-YL-O-ETHYL-S-N-PROPYL-(THIONO)THIOL-PHOSPHORIC-ACID ESTERS, PROCESS FOR PREPARING THEM AND THEIR USE AS PESTICIDES BAYER AG (DE) 1981-08-12 EP disclosed
EP-0023326-A1 N-Methyl-0-pyrazol(4)yl-carbamic acid esters, process for their synthesis and their use as pesticides BAYER AG (DE) 1981-02-04 EP disclosed