Dipyridyl

Dipyridyl

SCHEMBL30929488

Cl.Cl.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

nearest known ligand 0.68

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 Dipyridyl. 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
CCR5 known ✓ P51681 2/20 0.47
CA2 known ✓ P00918 1/20 0.42
HSP90AA1 known ✓ P07900 1/20 0.41
KDM4E B2RXH2 9/20 0.68
KDM5C P41229 7/20 0.68
KDM4C Q9H3R0 7/20 0.68
KDM2A Q9Y2K7 6/20 0.68
KDM3A Q9Y4C1 6/20 0.68
KDM4A O75164 4/20 0.68
KDM6B O15054 3/20 0.68
P4HTM Q9NXG6 2/20 0.59
LMNA P02545 3/20 0.47
CCR1 P32246 2/20 0.47
CCR8 P51685 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
DOHH Q9BU89 1/20 0.47

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
Dipyridyl SCHEMBL213432 0.98 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
Dipyridyl SCHEMBL29712625 0.98 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
Dipyridyl SCHEMBL8508022 0.95 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
Dipyridyl SCHEMBL9414412 0.95 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL7034218 0.95 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
Dipyridyl SCHEMBL9137473 0.95 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
Dipyridyl SCHEMBL9559929 0.95 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL30709735 0.95 KDM4E (0.70) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL2187195 0.88 KDM5C (0.61) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL528024 0.88 KDM5C (0.61) KDM4EKDM5CKDM4CKDM2AKDM3A

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
CN-114636746-B Pb detection2+Carboxyl ligand-induced annihilation ratio electrochemiluminescence aptamer sensing method 江苏大学 2024-06-07 CN claimed
CN-114636746-B Pb detection2+Carboxyl ligand-induced annihilation ratio electrochemiluminescence aptamer sensing method 江苏大学 2024-06-07 CN disclosed