Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4566200

CNC1CCN(c2cnc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)n[nH]3)cn2)C1.[Cl-].[H+]

nearest known ligand 0.39

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
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
FGFR1 P11362 4/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
MARK3 P27448 1/20 0.38
TNK2 Q07912 1/20 0.38
DDR1 Q08345 1/20 0.38
MAP4K2 Q12851 1/20 0.38
MAP3K11 Q16584 1/20 0.38
DDR2 Q16832 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
MAP4K1 Q92918 1/20 0.38
AURKB Q96GD4 1/20 0.38
EIF2AK1 Q9BQI3 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
STK26 Q9P289 1/20 0.38
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL64739 0.98 FGFR1 (0.39) CCNCCDK8FGFR1NTRK1RET
Hydrochloric Acid SCHEMBL4566202 0.98 FGFR1 (0.38) CCNCCDK8FGFR1NTRK1RET
SCHEMBL64686 0.87 FGFR2 (0.45) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL65605 0.86 FGFR2 (0.38) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL65470 0.85 FGFR1 (0.41) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL4435851 0.85 FGFR2 (0.39) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL64180 0.84 FGFR2 (0.40) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL64244 0.84 FGFR3 (0.44) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL64219 0.84 FGFR1 (0.52) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL64065 0.83 FGFR1 (0.47) FGFR1NTRK1RETPDGFRBMARK3

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-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed