Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6980387

CC(C)(C)c1ccc(-n2c(-c3cn(CCCCN)c4ccccc34)c(C#N)[nH]c2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.39
PIM1 P11309 1/20 0.39
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
RPS6KB1 P23443 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 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
SCHEMBL6977088 0.93 CAMK2D (0.43) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6978549 0.90 GSK3B (0.39) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6983727 0.89 CAMK2D (0.44) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6982808 0.85 CAMK2D (0.46) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6985258 0.85 CAMK2D (0.39) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6977475 0.83 CAMK2D (0.48) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6984540 0.82 CAMK2D (0.46) CAMK2DPIM1CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6981679 0.82 GSK3B (0.38) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL7671215 0.81 CAMK2D (0.49) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL6981835 0.81 CAMK2D (0.43) CAMK2DPIM1CCNT1CDK9CCNA2

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 1 patent. 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