SCHEMBL31134636

SCHEMBL31134636

Cc1nn(C2CCC(=O)NC2=O)c2cccc(Br)c12.[H-].[Na+]

nearest known ligand 0.48

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.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.48
▸ DDB1 Q16531 18/20 0.48
▸ IKZF3 Q9UKT9 3/20 0.44
▸ TNF P01375 1/20 0.42
▸ IL1B P01584 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL29079566 0.98 CRBN (0.50) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29767993 0.98 CRBN (0.50) CRBNDDB1IKZF3TNFIL1B
SCHEMBL26067488 0.82 CRBN (0.48) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079650 0.82 CRBN (0.48) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30574656 0.82 CRBN (0.48) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31342009 0.81 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29768091 0.80 CRBN (0.46) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31342076 0.79 CRBN (0.46) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31134471 0.78 DDB1 (0.47) CRBNDDB1IKZF3TNFIL1B
SCHEMBL20812621 0.78 DDB1 (0.60) CRBNDDB1IKZF3ALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688149-A1 IRAK4 PROTACS Astrazeneca AB (SE) 2026-02-11 — — EP disclosed
WO-2024209044-A1 IRAK4 PROTACS ASTRAZENECA AB (SE) 2024-10-10 — — WO disclosed
Send feedback