SCHEMBL2086729

SCHEMBL2086729

N=C(N)Nc1n[c]cs1

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
SCHEMBL9482394 0.68
SCHEMBL10862607 0.65
SCHEMBL2421740 0.65
Hydrochloric Acid SCHEMBL10377375 0.64 NPC1 (0.47)
SCHEMBL6508131 0.63 SMN1; SMN2 (0.61)
SCHEMBL8011137 0.63 L3MBTL1 (0.33)
SCHEMBL3871228 0.63 MAPT (0.54)
Hydrochloric Acid SCHEMBL6512719 0.62 SMN1; SMN2 (0.59)
SCHEMBL20578862 0.62 NPC1 (0.51)
SCHEMBL20578808 0.62 MAPT (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050750-A2 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON, INC. (US) 2009-04-22 EP claimed
US-7122679-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-10-17 US claimed
EP-0883616-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-08-25 EP claimed
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US claimed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP claimed
US-5981547-A FOR TREATING INFLAMMATION OR PAIN THE PROCTER & GAMBLE COMPANY (US) 1999-11-09 US claimed
US-5972957-A ANALGESICS AND ANTIARTHRITIC AGENT THE PROCTER & GAMBLE COMPANY (US) 1999-10-26 US claimed
EP-0883616-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-12-16 EP claimed
US-5821250-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents THE PROCTER & GAMBLE COMPANY (US) 1998-10-13 US claimed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP claimed
EP-0087274-A2 Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-08-31 EP claimed
US-4388317-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US claimed
US-4386211-A Anti-ulcer urea compounds G. D. SEARLE & CO. (US) 1983-05-31 US claimed
EP-0074229-A1 Triazole gastric anti-secretory agents PFIZER INC. (US) 1983-03-16 EP claimed
EP-0065825-A1 Pyridine derivatives as histamine H2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-12-01 EP claimed
US-4352933-A Chemical methods and intermediates for preparing substituted pyrimidinones SMITHKLINE BECKMAN CORPORATION (US) 1982-10-05 US claimed
EP-0058055-A2 Process for preparing substituted pyrimidinones and intermediates therefor SMITHKLINE BECKMAN CORPORATION (US) 1982-08-18 EP claimed
US-4309435-A HISTAMINE ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES LTD. (GB) 1982-01-05 US claimed
EP-0039989-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-18 EP claimed
EP-0010418-A1 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP claimed