SCHEMBL30962346

SCHEMBL30962346

CC(=O)O[BH-](OC(C)=O)OC(C)=O.CN1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3C2=O)C1=O.[Na+]

nearest known ligand 0.43

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 13)

geneUniProtsupporting neighboursconfidence
▸ RAF1 known ✓ P04049 2/20 0.35
▸ SYK known ✓ P43405 1/20 0.35
▸ PDK2 known ✓ Q15119 1/20 0.34
▸ IRAK1 P51617 2/20 0.43
▸ IRAK3 Q9Y616 2/20 0.43
▸ CRBN Q96SW2 7/20 0.39
▸ AR P10275 4/20 0.39
▸ CDK9 P50750 1/20 0.37
▸ GPR119 Q8TDV5 5/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35

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
SCHEMBL30962354 0.93 IRAK1 (0.47) IRAK1IRAK3CRBNARCDK9
SCHEMBL27466428 0.93 IRAK1 (0.47) IRAK1IRAK3CRBNARCDK9
SCHEMBL29648294 0.87 IRAK1 (0.53) IRAK1IRAK3CRBNGPR119IRAK4
SCHEMBL24501045 0.87 IRAK1 (0.53) IRAK1IRAK3CRBNGPR119IRAK4
SCHEMBL21907830 0.85 GPR119 (0.45) IRAK1IRAK3CRBNGPR119PDK2
SCHEMBL30694690 0.85 GPR119 (0.45) IRAK1IRAK3CRBNGPR119PDK2
SCHEMBL20234891 0.80 CRBN (0.58) IRAK1IRAK3CRBNARCDK9
SCHEMBL29802963 0.80 CRBN (0.58) IRAK1IRAK3CRBNARCDK9
SCHEMBL29927426 0.79 CRBN (0.58) IRAK1IRAK3CRBNARCDK9
SCHEMBL29132100 0.79 CRBN (0.58) IRAK1IRAK3CRBNARCDK9

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-4633732-A1 HETEROCYCLIC COMPOUNDS TARGETING THE NUDT5 PROTEIN Oxford University Innovation Limited (GB) 2025-10-22 — — EP disclosed
WO-2024127022-A1 HETEROCYCLIC COMPOUNDS TARGETING THE NUDT5 PROTEIN OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-06-20 — — WO disclosed
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