Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6979888

CNCCCn1cc(-c2c(C#N)[nH]c(=O)n2-c2cn(C)c3ccccc23)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.41
PRKACG P22612 2/20 0.41
PRKACB P22694 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
PIM1 P11309 3/20 0.37
CAMK2D Q13557 2/20 0.37
PRKCA P17252 2/20 0.36
GSK3B P49841 2/20 0.36
MEN1 O00255 1/20 0.35
CASK O14936 1/20 0.35
RPS6KA5 O75582 1/20 0.35
CCNK O75909 1/20 0.35
STK10 O94804 1/20 0.35
PRKD3 O94806 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6980550 0.93 PRKACA (0.46) PRKACAPRKACGPRKACBCDK4CCND1
Trifluoroacetic Acid SCHEMBL6978145 0.92 CCNT1 (0.39) PRKACAPRKACGPRKACBCCNT1CDK9
Trifluoroacetic Acid SCHEMBL6978585 0.91 CCNT1 (0.40) PRKACAPRKACGPRKACBCDK4CCND1
Trifluoroacetic Acid SCHEMBL6977279 0.91 CAMK2D (0.41) CCNT1CDK9CCNA2CDK2PIM1
Trifluoroacetic Acid SCHEMBL6977475 0.90 CAMK2D (0.48) CCNT1CDK9CCNA2CDK2PIM1
Trifluoroacetic Acid SCHEMBL6981733 0.90 CAMK2D (0.42) CCNT1CDK9CCNA2CDK2PIM1
Trifluoroacetic Acid SCHEMBL6982808 0.89 CAMK2D (0.46) CCNT1CDK9CCNA2CDK2PIM1
Trifluoroacetic Acid SCHEMBL6984346 0.89 PRKCA (0.50) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL7678323 0.86 CCNT1 (0.40) PRKACAPRKACGPRKACBCDK4CCND1
Hydrochloric Acid SCHEMBL6984321 0.85 CCNT1 (0.39) PRKACAPRKACGPRKACBCDK4CCND1

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