Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6982808

Cn1cc(-n2c(-c3cn(CCCCN)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.46
PIM1 P11309 2/20 0.46
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
RPS6KB1 P23443 2/20 0.38
MEN1 O00255 1/20 0.38
CASK O14936 1/20 0.38
RPS6KA5 O75582 1/20 0.38
CCNK O75909 1/20 0.38
STK10 O94804 1/20 0.38
PRKD3 O94806 1/20 0.38
TP53 P04637 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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 SCHEMBL6977475 0.97 CAMK2D (0.48) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6981733 0.94 CAMK2D (0.42) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6985258 0.93 CAMK2D (0.39) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6975973 0.92 CAMK2D (0.53) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6977279 0.92 CAMK2D (0.41) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6977406 0.90 CAMK2D (0.56) CAMK2DPIM1CCNT1CDK9RPS6KB1
Trifluoroacetic Acid SCHEMBL6979888 0.89 PRKACA (0.41) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6984346 0.89 PRKCA (0.50) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6978145 0.88 CCNT1 (0.39) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6986763 0.88 TPSAB1 (0.38) CAMK2DPIM1CCNT1CDK9MEN1

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-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
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed