SCHEMBL29622124

SCHEMBL29622124

[NH-]C(=O)c1nc(F)cnc1O.[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
SCHEMBL28398570 0.80 KDM4E (0.37)
Favipiravir SCHEMBL30725561 0.77 LCK (0.33)
Favipiravir SCHEMBL21085196 0.77 LCK (0.33)
SCHEMBL24146634 0.74 NPSR1 (0.47)
SCHEMBL25028569 0.71
Favipiravir SCHEMBL28964779 0.68 LMNA (0.32)
SCHEMBL5269681 0.67 PLAU (0.33)
SCHEMBL31259490 0.67 PLAU (0.33)
SCHEMBL24025413 0.65 KDM4E (0.38)
SCHEMBL28899475 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022098324-A1 A NEW PHARMACEUTICAL COMPOSITION PRODUCED BY LYOPHYLISATION METHOD CONTAINING 6-FLUORO-3-HYDROXY-2-PYRAZINECARBOXAMIDE ACTIVE INGREDIENT OR ITS SODIUM SALT AROMA İLAÇ SANAYİ LİMİTED ŞİRKETİ (TR) 2022-05-12 WO claimed
US-11679083-B2 Method for producing freeze-dried formulation FUJIFILM TOYAMA CHEMICAL CO., LTD. (JP) 2023-06-20 US disclosed
WO-2022098324-A1 A NEW PHARMACEUTICAL COMPOSITION PRODUCED BY LYOPHYLISATION METHOD CONTAINING 6-FLUORO-3-HYDROXY-2-PYRAZINECARBOXAMIDE ACTIVE INGREDIENT OR ITS SODIUM SALT AROMA İLAÇ SANAYİ LİMİTED ŞİRKETİ (TR) 2022-05-12 WO disclosed