Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6978585

CC(C)NCCCn1cc(-c2c(C#N)[nH]c(=O)n2-c2cn(C)c3ccccc23)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.40
CDK9 P50750 5/20 0.40
CDK2 P24941 3/20 0.37
CCNA2 P20248 2/20 0.37
PIM1 P11309 3/20 0.36
CAMK2D Q13557 2/20 0.36
PRKCA P17252 2/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
MEN1 O00255 1/20 0.34
CASK O14936 1/20 0.34
RPS6KA5 O75582 1/20 0.34
CCNK O75909 1/20 0.34
STK10 O94804 1/20 0.34
PRKD3 O94806 1/20 0.34

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
SCHEMBL6983953 0.93 CCNT1 (0.43) CCNT1CDK9CDK2CCNA2PIM1
Trifluoroacetic Acid SCHEMBL6979888 0.91 PRKACA (0.41) CCNT1CDK9CDK2CCNA2PIM1
Trifluoroacetic Acid SCHEMBL6978145 0.90 CCNT1 (0.39) CCNT1CDK9CDK2CCNA2PIM1
Trifluoroacetic Acid SCHEMBL6977279 0.89 CAMK2D (0.41) CCNT1CDK9CDK2CCNA2PIM1
Trifluoroacetic Acid SCHEMBL6977475 0.88 CAMK2D (0.48) CCNT1CDK9CDK2CCNA2PIM1
Trifluoroacetic Acid SCHEMBL6981733 0.88 CAMK2D (0.42) CCNT1CDK9CDK2CCNA2PIM1
Trifluoroacetic Acid SCHEMBL6982808 0.87 CAMK2D (0.46) CCNT1CDK9CDK2CCNA2PIM1
Trifluoroacetic Acid SCHEMBL6984346 0.87 PRKCA (0.50) CCNT1CDK9CDK2CCNA2PIM1
SCHEMBL7678323 0.84 CCNT1 (0.40) CCNT1CDK9CDK2CCNA2PIM1
SCHEMBL6980550 0.83 PRKACA (0.46) CCNT1CDK9CDK2CCNA2PIM1

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