Pyrazine

Pyrazine

SCHEMBL4081041

CCO.c1cnccn1

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Pyrazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Pyrazine SCHEMBL8936652 1.00 TSHR (0.50)
Pyrazine SCHEMBL28899285 0.96 ALDH1A1 (0.46)
Pyrazine SCHEMBL27594329 0.84 MAPT (0.47)
Pyrazine SCHEMBL28845759 0.82
Pyridine SCHEMBL8610477 0.82 TSHR (0.60)
Pyridine SCHEMBL8610474 0.82 TSHR (0.60)
Pyridine SCHEMBL28757618 0.82 TSHR (0.60)
Pyridine SCHEMBL180736 0.82
Pyridine SCHEMBL10904050 0.79 TSHR (0.56)
Pyridine SCHEMBL11518871 0.79 TSHR (0.56)

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
JP-5199861-A None JP disclosed
CN-107074896-A Electroluminescent Imidazoquinoxaline Carbene Metal Complexes UDC 爱尔兰有限责任公司 2017-08-18 CN disclosed
CN-105394805-B Method for enabling carbon dioxide expanded tobacco to highlight sweet aroma style 安徽中烟工业有限责任公司 2017-01-25 CN disclosed
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
EP-1874731-A4 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS INC (US) 2009-08-05 EP disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
EP-1874731-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-11-23 US disclosed
WO-2006113509-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
JP-H05199861-A SMOCKING COMPOSITION CONTAINING PYRAZINE ETHANOL SPICE RELEASING ADDITIVE PHILIP MORRIS PROD INC 1993-08-10 JP disclosed