Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6586548

Cn1cc(-n2c(-c3cn(CCCN)c4ccccc34)n[nH]c2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 10/20 0.50
PIM1 P11309 1/20 0.50
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41

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 SCHEMBL6589561 0.97 CAMK2D (0.50) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6587901 0.90 CAMK2D (0.46) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6591485 0.90 CAMK2D (0.44) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6585782 0.90 CAMK2D (0.45) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6588330 0.90 CAMK2D (0.43) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6586721 0.90 CAMK2D (0.43) CAMK2DPIM1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6588255 0.88 CAMK2D (0.43) CAMK2DPIM1
Trifluoroacetic Acid SCHEMBL6586373 0.84 IDO1 (0.36) CAMK2DPIM1
Trifluoroacetic Acid SCHEMBL6588835 0.83 CHEK1 (0.39) CAMK2DPIM1CDK2
SCHEMBL6588231 0.82 CAMK2D (0.51) CAMK2DPIM1RPS6KB1

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