Laduviglusib

Laduviglusib

SCHEMBL17165152

Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1.Cl

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.76
CDK1 P06493 3/20 0.76
GSK3A P49840 3/20 0.76
CCNB2 O95067 2/20 0.76
CCNB1 P14635 2/20 0.76
CCNB3 Q8WWL7 2/20 0.76
RPS6KB1 P23443 1/20 0.76
CDK2 P24941 1/20 0.76
LIMK1 P53667 1/20 0.76
TAOK1 Q7L7X3 1/20 0.76
SLK Q9H2G2 1/20 0.76
CLK4 Q9HAZ1 1/20 0.76
CSNK1G1 Q9HCP0 1/20 0.76
IDH1 O75874 2/20 0.39
TMPRSS4 Q9NRS4 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
ROS1 P08922 1/20 0.33
KDM1A O60341 1/20 0.32
CRHR1 P34998 1/20 0.32

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
Laduviglusib SCHEMBL240280 0.99 GSK3B (0.77) GSK3BCDK1GSK3ACCNB2CCNB1
Laduviglusib SCHEMBL29838591 0.99 GSK3B (0.77) GSK3BCDK1GSK3ACCNB2CCNB1
Laduviglusib SCHEMBL29381114 0.99 GSK3B (0.77) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL12552315 0.92 GSK3B (0.67) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5094723 0.92 GSK3B (0.66) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4398952 0.91 GSK3B (0.65) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4404427 0.91 GSK3B (0.64) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL20095066 0.89 GSK3B (0.72) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL26489229 0.89 GSK3B (0.62) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7148131 0.89 GSK3B (0.71) GSK3BCDK1GSK3ACCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943090-A1 EXPANSION AND DIFFERENTIATION OF INNER EAR SUPPORTING CELLS AND METHODS OF USE THEREOF Massachusetts Eye & Ear Infirmary (US) 2022-01-26 EP disclosed
EP-3407901-B1 EXPANSION AND DIFFERENTIATION OF INNER EAR SUPPORTING CELLS AND METHODS OF USE THEREOF MASSACHUSETTS EYE & EAR INFIRMARY (US) 2021-07-21 EP disclosed
CN-106367390-B Neuron cell culture solution and culture method 上海爱萨尔生物科技有限公司 2019-12-31 CN disclosed
CN-106479980-B Neural stem cell culture solution and culture method 上海爱萨尔生物科技有限公司 2019-12-31 CN disclosed
CN-105441381-B Method of the external evoked human adipose mesenchymal stem cells to functional hepatocyte differentiation 四川大学 2019-03-05 CN disclosed
US-20170165230-A1 USE OF GSK-3 INHIBITORS OR ACTIVATORS WHICH MODULATE PD-1 OR T-BET EXPRESSION TO MODULATE T CELL IMMUNITY RUDD CHRISTOPHER (CA) 2017-06-15 US disclosed
CN-105441381-A Method for inducing differentiation of hADSCs (human adipose-derived mesenchymal stem cells) to functional iHeps in vitro UNIV SICHUAN 2016-03-30 CN disclosed
WO-2015155738-A2 USE OF GSK-3 INHIBITORS OR ACTIVATORS WHICH MODULATE PD-1 OR T-BET EXPRESSION TO MODULATE T CELL IMMUNITY RUDD CHRISTOPHER (US) 2015-10-15 WO disclosed