SCHEMBL6165719

SCHEMBL6165719

[c]1cccc2c1CNCN2

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
SCHEMBL1828552 0.83
SCHEMBL4839624 0.82
SCHEMBL3531890 0.71
SCHEMBL104509 0.71
SCHEMBL4078314 0.71 MEN1 (0.35)
SCHEMBL11198759 0.69 PDE3B (0.36)
SCHEMBL1602727 0.68
SCHEMBL130192 0.68
SCHEMBL8925185 0.68 ALOX15 (0.58)
SCHEMBL105406 0.68 KDM4E (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273582-B1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2005-06-29 EP disclosed
EP-1273580-B1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6900230-B2 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-05-31 US disclosed
US-6875779-B2 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-04-05 US disclosed
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 EP disclosed
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2004-10-07 US disclosed
US-6753332-B2 CYCLOOXYGENASE INHIBITORS PFIZER, INC. 2004-06-22 US disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 US disclosed
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER PRODUCTS, INC. 2003-06-26 US disclosed
US-20030119836-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-06-26 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1273580-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1273582-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed