SCHEMBL857888

SCHEMBL857888

C1=c2ccccc2=NC[N]1

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
SCHEMBL11295669 0.70 HTR2A (0.31)
SCHEMBL15117455 0.68
SCHEMBL1608867 0.68
SCHEMBL10670205 0.68 ALDH1A1 (0.33)
SCHEMBL28481228 0.68 ALDH1A1 (0.33)
Hydrochloric Acid SCHEMBL11613916 0.67
Iodide SCHEMBL11809783 0.67
SCHEMBL5050144 0.66
SCHEMBL5050151 0.66
SCHEMBL16690908 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US claimed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US claimed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP claimed
CN-117003739-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 安徽中医药大学 2023-11-07 CN disclosed
CN-115554406-A anti-CD 20 combinations for the treatment of tumors 博笛生物科技有限公司 2023-01-03 CN disclosed
CN-115350279-A anti-HER 2 combinations for the treatment of tumors 博笛生物科技有限公司 2022-11-18 CN disclosed
CN-115337402-A Combination therapeutic compositions and combination therapeutic methods for treating cancer 博笛生物科技有限公司 2022-11-15 CN disclosed
CN-115252792-A anti-EGFR combinations for the treatment of tumors 博笛生物科技有限公司 2022-11-01 CN disclosed
CN-114716555-A Compounds and compositions for targeting EGFR expressing tumors 博笛生物科技有限公司 2022-07-08 CN disclosed
CN-114671954-A Compounds and compositions targeting HER2 positive tumors 博笛生物科技有限公司 2022-06-28 CN disclosed
CN-113633783-A Compounds and compositions for immunotherapy 博笛生物科技有限公司 2021-11-12 CN disclosed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed
EP-1636236-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-03-22 EP disclosed
WO-2004104007-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-12-02 WO disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed