Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6585782

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCN)c3ccc(F)cc23)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.45
PIM1 P11309 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HSP90AA1 P07900 2/20 0.37
PDK1 Q15118 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37

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 SCHEMBL6588330 0.97 CAMK2D (0.43) CAMK2DPIM1PTGDR2CA12CA1
Trifluoroacetic Acid SCHEMBL6586721 0.94 CAMK2D (0.43) CAMK2DPIM1CA12CA1CA2
SCHEMBL6588231 0.94 CAMK2D (0.51) CAMK2DPIM1PDK1
Trifluoroacetic Acid SCHEMBL6587901 0.93 CAMK2D (0.46) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6591980 0.93 ICMT (0.37) CAMK2DPIM1PTGDR2HSP90AA1
Trifluoroacetic Acid SCHEMBL6589561 0.93 CAMK2D (0.50) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6586877 0.92 ICMT (0.38) CAMK2DPIM1PTGDR2HSP90AA1CCNT1
Trifluoroacetic Acid SCHEMBL6584844 0.92 CAMK2D (0.37) CAMK2DPIM1PTGDR2HSP90AA1
Trifluoroacetic Acid SCHEMBL6590532 0.91 CDK2 (0.38) CAMK2DPIM1PTGDR2HSP90AA1CDK2
Trifluoroacetic Acid SCHEMBL6590147 0.91 HSP90AA1 (0.38) CAMK2DPIM1PTGDR2HSP90AA1

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-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