SCHEMBL902113

SCHEMBL902113

C1=CNC2=CN=C[N]C2=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
SCHEMBL11797832 0.73 — —
SCHEMBL902094 0.71 — —
SCHEMBL9381557 0.70 — —
SCHEMBL275382 0.55 — —
SCHEMBL3943291 0.54 — —
Hydrochloric Acid SCHEMBL3861041 0.45 — —
SCHEMBL73936 0.37 — —
SCHEMBL26660960 0.33 — —
SCHEMBL1465460 0.31 — —
SCHEMBL890278 0.29 — —

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627626-B2 Antiinflammation agents and antiarthritic agents colon cancer, and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock animals. PFIZER INC. 2003-09-30 — — US claimed
US-20030144279-A1 5-Heterocyclo-pyrazoles MINICH MARTHA L (US) 2003-07-31 — — US claimed
WO-2003037352-A1 1-PHENYL-5-N-HETEROCYCLYL-PYRAZOLES AS CYCLOOXYGENASE INHIBITORS FOR THE TREATMENT OF INFLAMMATION ASSOCIATED DISORDERS PFIZER PRODUCTS INC. (US) 2003-05-08 — — WO claimed
EP-1308161-A1 5-N-heterocyclyl-1-(4-sulfonyl-phenyl)-1H-pyrazole derivatives with cyclooxygenase 2 (COX-2) inhibiting activity for the treatment of inflammatory diseases Pfizer Products Inc. (US) 2003-05-07 — — EP claimed
WO-2012042227-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) 2012-04-05 — — WO disclosed
EP-1308161-B1 5-N-heterocyclyl-1-(4-sulfonyl-phenyl)-1H-pyrazole derivatives with cyclooxygenase 2 (COX-2) inhibiting activity for the treatment of inflammatory diseases PFIZER PROD INC (US) 2006-01-04 — — EP disclosed
US-6627626-B2 Antiinflammation agents and antiarthritic agents colon cancer, and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock animals. PFIZER INC. 2003-09-30 — — US disclosed
US-20030144279-A1 5-Heterocyclo-pyrazoles MINICH MARTHA L (US) 2003-07-31 — — US disclosed
WO-2003037352-A1 1-PHENYL-5-N-HETEROCYCLYL-PYRAZOLES AS CYCLOOXYGENASE INHIBITORS FOR THE TREATMENT OF INFLAMMATION ASSOCIATED DISORDERS PFIZER PRODUCTS INC. (US) 2003-05-08 — — WO disclosed
EP-1308161-A1 5-N-heterocyclyl-1-(4-sulfonyl-phenyl)-1H-pyrazole derivatives with cyclooxygenase 2 (COX-2) inhibiting activity for the treatment of inflammatory diseases Pfizer Products Inc. (US) 2003-05-07 — — EP disclosed
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