Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2052116

Cl.Cl.NC(=O)C=Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.69

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 Hydrochloric Acid. 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
EGFR known ✓ P00533 15/20 0.69
KCNH2 known ✓ Q12809 2/20 0.58
SRC known ✓ P12931 4/20 0.56
ERBB2 known ✓ P04626 3/20 0.56
KIT known ✓ P10721 2/20 0.56
ERBB4 known ✓ Q15303 2/20 0.56
KDR known ✓ P35968 4/20 0.54
FLT1 known ✓ P17948 2/20 0.54
ABL1 known ✓ P00519 1/20 0.54
LCK known ✓ P06239 1/20 0.54
RET known ✓ P07949 1/20 0.54
MET known ✓ P08581 1/20 0.54
PDGFRB known ✓ P09619 1/20 0.54
BCR known ✓ P11274 1/20 0.54
PDGFRA known ✓ P16234 1/20 0.54
FLT3 known ✓ P36888 1/20 0.54
ACVR1 known ✓ Q04771 1/20 0.54
ITK known ✓ Q08881 1/20 0.54
ALK known ✓ Q9UM73 1/20 0.54
FGFR1 known ✓ P11362 1/20 0.53

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
Hydrochloric Acid SCHEMBL2052117 0.87 EGFR (0.71) EGFRKCNH2SRCERBB2KIT
Hydrochloric Acid SCHEMBL2052114 0.85 EGFR (0.70) EGFRKCNH2SRCERBB2KIT
Hydrochloric Acid SCHEMBL2052120 0.83 EGFR (0.78) EGFRSRCERBB2KITERBB3
SCHEMBL3246210 0.83 HDAC1 (0.60) EGFRSRCERBB2KDRLCK
SCHEMBL3240234 0.83 EGFR (0.70) EGFRSRCERBB2KDRBRAF
SCHEMBL5423358 0.83 EGFR (0.78) EGFRSRCERBB2KITERBB3
SCHEMBL4466493 0.82 EGFR (1.00) EGFRKCNH2SRCERBB2KIT
SCHEMBL15877253 0.81 EGFR (0.71) EGFRKCNH2SRCERBB2KIT
SCHEMBL25249173 0.80 EGFR (0.54) EGFRKCNH2SRCERBB2KIT
SCHEMBL13861787 0.78 EGFR (0.75) EGFRKCNH2SRCERBB2KIT

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-2521555-A1 METHODS AND COMPOSITIONS FOR INCREASING SENSITIVITY TO TYROSINE KINASE INHIBITORS The University Of Western Australia (AU) 2012-11-14 EP disclosed
WO-2011063456-A1 METHODS AND COMPOSITIONS FOR INCREASING SENSITIVITY TO TYROSINE KINASE INHIBITORS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2011-06-03 WO disclosed