Hydrochloric Acid

Hydrochloric Acid

SCHEMBL26645658

COc1cccc(-c2nn3c(c2-c2ccncc2)CNCC3)c1.[Cl-].[H+]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
MAPK14 Q16539 3/20 0.44
BRAF P15056 3/20 0.44
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
DCTPP1 Q9H773 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
HTR3A P46098 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB1 P08588 1/20 0.39
THRB P10828 2/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL26645052 0.99 MAPK14 (0.45) MAPK14BRAFMAPK13RAF1MAPK12
SCHEMBL30622759 0.99 MAPK14 (0.45) MAPK14BRAFMAPK13RAF1MAPK12
Hydrochloric Acid SCHEMBL26645060 0.98 MAPK14 (0.44) MAPK14BRAFMAPK13RAF1MAPK12
Hydrochloric Acid SCHEMBL30622821 0.98 MAPK14 (0.44) MAPK14BRAFMAPK13RAF1MAPK12
Hydrochloric Acid SCHEMBL26645382 0.86 MAPK14 (0.46) MAPK14MAPK11HTR7NISCHNPC1
Hydrochloric Acid SCHEMBL26645281 0.84 THRB (0.46) MAPK14BRAFMAPK13RAF1MAPK12
Hydrochloric Acid SCHEMBL26645386 0.84 MAPK14 (0.46) MAPK14MAPK11HTR7NISCHNPC1
Hydrochloric Acid SCHEMBL30622837 0.84 MAPK14 (0.46) MAPK14MAPK11HTR7NISCHNPC1
Hydrochloric Acid SCHEMBL26645076 0.82 THRB (0.37) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL30623082 0.82 CSNK1E (0.43) MAPK14MAPK13RAF1MAPK12MAPK11

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-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 WO disclosed