SCHEMBL174802

SCHEMBL174802

Cn1cc(C#N)c(N)n1

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
SCHEMBL6253963 0.82 KDR (0.40)
SCHEMBL4355665 0.76
SCHEMBL2075690 0.75 KDR (0.36)
SCHEMBL12873380 0.74
SCHEMBL21802995 0.74
SCHEMBL16654819 0.74
SCHEMBL8233937 0.74 ADORA2A (0.37)
SCHEMBL8241443 0.74 RECQL (0.35)
SCHEMBL4760124 0.72 KDR (0.43)
Hydrochloric Acid SCHEMBL12825769 0.72 RECQL (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 US claimed
WO-2021130257-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
CN-116874466-B N-substituted dioxocyclobutylamino-3-hydroxy-pyridinecarboxamides as CCR6 inhibitors PFIZER INC. (US) 2026-05-26 CN disclosed
EP-4735114-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES Masarykova Univerzita (CZ) 2026-05-06 EP disclosed
US-12486270-B2 Receptor tyrosine kinase inhibitors for treatment of protein kinase modulation-responsive disease or disorder THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-12-02 US disclosed
WO-2025228899-A1 FURTHER HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
US-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2025-10-30 US disclosed
EP-4608830-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2025-09-03 EP disclosed
US-12312344-B2 N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors PFIZER INC. (US) 2025-05-27 US disclosed
WO-2025002491-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES MASARYKOVA UNIVERZITA (CZ) 2025-01-02 WO disclosed
US-20240368144-A1 N-SUBSTITUTED-DIOXOCYCLOBUTENYLAMINO-3-HYDROXY-PICOLINAMIDES USEFUL AS CCR6 INHIBITORS PFIZER INC. (US) 2024-11-07 US disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 US disclosed
WO-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 WO disclosed
US-4542131-A NERVOUS SYSTEM DISORDERS LILLY INDUSTRIES LIMITED (GB) 1985-09-17 US disclosed
WO-1985001732-A1 8-SUBSTITUTED PYRAZOLOPENTATHIEPINS AND RELATED COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-25 WO disclosed
US-4486591-A CNS DISORDERS LILLY INDUSTRIES LIMITED (GB) 1984-12-04 US disclosed
US-4404137-A NEUROLEPTIC AGENTS; SEDATIVES; TRANQUILIZERS; ANTIEMETICS LILLY INDUSTRIES LIMITED (GB) 1983-09-13 US disclosed
EP-0027390-A1 Novel benzodiazepine compounds, their preparation, intermediates employed in their preparation, and pharmaceutical compositions containing them Lilly Industries Limited (GB) 1981-04-22 EP disclosed