Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6588085

COc1ccc2c(-c3n[nH]c(=O)n3-c3cn(CCCN)c4ccc(F)cc34)cn(C)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.36
PRKCA P17252 1/20 0.36
QPCT Q16769 3/20 0.34
PIM1 P11309 1/20 0.34
CAMK2D Q13557 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PLK1 P53350 2/20 0.33
SYK P43405 2/20 0.33
FCER2 P06734 1/20 0.32
HSP90AA1 P07900 3/20 0.32
HSP90AB1 P08238 1/20 0.32
CHEK1 O14757 1/20 0.32
DYRK1A Q13627 1/20 0.32
HASPIN Q8TF76 1/20 0.32

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 SCHEMBL6591483 0.95 GSK3B (0.37) GSK3BQPCTPIM1CAMK2DPIK3R1
SCHEMBL6590149 0.91 CAMK2D (0.35) GSK3BPRKCAPIM1CAMK2DPLK1
Trifluoroacetic Acid SCHEMBL6590147 0.91 HSP90AA1 (0.38) GSK3BPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6589351 0.91 NPC1 (0.36) PIM1CAMK2DHSP90AA1
Trifluoroacetic Acid SCHEMBL6590827 0.90 PIM1 (0.35) GSK3BPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6588255 0.90 CAMK2D (0.43) GSK3BPRKCAPIM1CAMK2D
Trifluoroacetic Acid SCHEMBL6586732 0.90 PTGDR2 (0.37) GSK3BPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6585782 0.89 CAMK2D (0.45) PIM1CAMK2DHSP90AA1
Trifluoroacetic Acid SCHEMBL6586373 0.89 IDO1 (0.36) GSK3BPRKCAPIM1CAMK2DPLK1
SCHEMBL6589392 0.89 GSK3B (0.41) GSK3BQPCTPIM1CAMK2DPIK3R1

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-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed