Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29388307

COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCNCC4)nc3nc2NC(=O)NC(C)(C)C)c1.Cl

nearest known ligand 0.84

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
▸ FGFR1 known ✓ P11362 20/20 0.84
▸ FGFR3 known ✓ P22607 17/20 0.84
▸ KDR known ✓ P35968 13/20 0.84
▸ FLT1 known ✓ P17948 12/20 0.84
▸ FLT4 known ✓ P35916 12/20 0.84
▸ SRC known ✓ P12931 3/20 0.68
▸ GLA known ✓ P06280 1/20 0.68
▸ EGFR known ✓ P00533 3/20 0.61
▸ PRKD3 known ✓ O94806 1/20 0.60
▸ PRKCG known ✓ P05129 1/20 0.60
▸ PRKCB known ✓ P05771 1/20 0.60
▸ PRKCA known ✓ P17252 1/20 0.60
▸ PRKCH known ✓ P24723 1/20 0.60
▸ PRKCI known ✓ P41743 1/20 0.60
▸ PRKCE known ✓ Q02156 1/20 0.60
▸ PRKCQ known ✓ Q04759 1/20 0.60
▸ PRKCZ known ✓ Q05513 1/20 0.60
▸ PRKCD known ✓ Q05655 1/20 0.60
▸ PRKD1 known ✓ Q15139 1/20 0.60
▸ FGFR2 P21802 17/20 0.84

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 SCHEMBL22531887 1.00 FGFR1 (0.84) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL29391222 0.99 FGFR1 (0.86) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL22532606 0.99 FGFR1 (0.86) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL24490292 0.92 FGFR1 (1.00) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL19601461 0.90 FGFR1 (0.88) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL22532398 0.90 FGFR1 (0.87) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL22532348 0.90 FGFR1 (0.87) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL29388263 0.90 FGFR1 (0.87) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL29391039 0.90 FGFR1 (0.87) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL22531580 0.88 FGFR1 (0.84) FGFR1FGFR2FGFR4FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952863-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) Dana-Farber Cancer Institute, Inc. (US) 2022-02-16 — — EP disclosed
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