Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6985258

CCCn1cc(-n2c(-c3cn(CCCCN)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
PIM1 P11309 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TPSAB1 Q15661 3/20 0.37
RPS6KB1 P23443 1/20 0.37
CNR2 P34972 3/20 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 SCHEMBL6982808 0.93 CAMK2D (0.46) CAMK2DCCNT1CDK9CCNA2CDK2
SCHEMBL6980479 0.93 CAMK2D (0.45) CAMK2DCCNT1CDK9CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6977475 0.90 CAMK2D (0.48) CAMK2DCCNT1CDK9CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6981733 0.87 CAMK2D (0.42) CAMK2DCCNT1CDK9CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6984540 0.86 CAMK2D (0.46) CAMK2DCCNT1CDK9CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6977279 0.85 CAMK2D (0.41) CAMK2DCCNT1CDK9CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6980387 0.85 CAMK2D (0.39) CAMK2DCCNT1CDK9CCNA2CDK2
SCHEMBL6975973 0.84 CAMK2D (0.53) CAMK2DCCNT1CDK9CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6978549 0.84 GSK3B (0.39) CAMK2DCCNT1CDK9CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6985276 0.84 CAMK2D (0.49) CAMK2DCCNT1CDK9CDK2PIM1

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-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed