Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6588835

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCN)c3ccc(Cl)cc23)c2cc(Cl)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.39
PIM1 P11309 1/20 0.37
CAMK2D Q13557 1/20 0.37
ACLY P53396 4/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GSK3B P49841 3/20 0.33
HSP90AA1 P07900 3/20 0.33
KDM4C Q9H3R0 1/20 0.33
PRKCA P17252 1/20 0.32
CDK2 P24941 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL6590532 0.96 CDK2 (0.38) CHEK1PIM1CAMK2DACLYKMT2A
SCHEMBL6589113 0.93 CHEK1 (0.44) CHEK1PIM1CAMK2DKMT2AKDM4E
Trifluoroacetic Acid SCHEMBL6590827 0.91 PIM1 (0.35) CHEK1PIM1CAMK2DACLYKDM4E
SCHEMBL6588432 0.89 GSK3B (0.42) CHEK1PIM1CAMK2DKDM4EGSK3B
Trifluoroacetic Acid SCHEMBL6591980 0.89 ICMT (0.37) PIM1CAMK2DGSK3BHSP90AA1PRKCA
Trifluoroacetic Acid SCHEMBL6586877 0.88 ICMT (0.38) PIM1CAMK2DGSK3BHSP90AA1PRKCA
Trifluoroacetic Acid SCHEMBL6587901 0.87 CAMK2D (0.46) PIM1CAMK2DCDK2
Trifluoroacetic Acid SCHEMBL6589561 0.87 CAMK2D (0.50) PIM1CAMK2DKMT2AGSK3BPRKCA
Trifluoroacetic Acid SCHEMBL6585782 0.87 CAMK2D (0.45) PIM1CAMK2DHSP90AA1CDK2
Trifluoroacetic Acid SCHEMBL6588330 0.87 CAMK2D (0.43) PIM1CAMK2DGSK3BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed