Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL23779044

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1c(NCC2CCOC2)nn2c1CNCC2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PIM1 P11309 3/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ GSK3B P49841 4/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GLS O94925 1/20 0.31
▸ HRH4 Q9H3N8 2/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ SCN5A Q14524 1/20 0.30
▸ NAMPT P43490 1/20 0.30
▸ TRPC5 Q9UL62 1/20 0.30
▸ APAF1 O14727 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ CASP9 P55211 1/20 0.30

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
SCHEMBL28916334 0.90 HRH4 (0.36) RAF1BRAFPDE3BPDE3APIM1
Hydrochloric Acid SCHEMBL23779120 0.89 HRH4 (0.36) RAF1BRAFPDE3BPDE3APIM1
SCHEMBL24321157 0.74 PIP5K1C (0.45) GSK3BWNT1DYRK1ANAMPT
Hydrochloric Acid SCHEMBL23779106 0.73 PIP5K1C (0.44) GSK3BWNT1DYRK1ANAMPT
SCHEMBL23779045 0.70 NR1H2 (0.38) NAMPT
Trifluoroacetic Acid SCHEMBL30755785 0.69 PDCD1 (0.38) HRH4L3MBTL1
SCHEMBL23779053 0.66 POLB (0.47) HRH4NAMPT
Trifluoroacetic Acid SCHEMBL29931206 0.66 SCD (0.37) HRH4L3MBTL1
Trifluoroacetic Acid SCHEMBL25410106 0.66 PDCD1 (0.38) HRH4L3MBTL1
Trifluoroacetic Acid SCHEMBL29888231 0.66 PDCD1 (0.36) HRH4L3MBTL1

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-3873910-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2021-09-08 — — EP disclosed
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