Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4471368

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(Br)cc32)c(C)c1C(=O)NCCC1CNC(=O)CN1.O=C(O)C(F)(F)F

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.59
KDR P35968 11/20 0.59
FGFR1 P11362 7/20 0.59
EGFR P00533 2/20 0.59
PRKAA1 Q13131 9/20 0.54
PRKAA2 P54646 8/20 0.54
HDAC3 O15379 4/20 0.52
HDAC4 P56524 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC10 Q969S8 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52
TLK2 Q86UE8 3/20 0.52
PLK4 O00444 2/20 0.50
DCLK1 O15075 2/20 0.50

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 SCHEMBL4575835 0.82 PDGFRB (0.62) PDGFRBKDRFGFR1EGFRPRKAA1
Trifluoroacetic Acid SCHEMBL2115583 0.80 PDGFRB (0.61) PDGFRBKDRFGFR1EGFRPRKAA1
SCHEMBL2113403 0.78 KDR (0.77) PDGFRBKDRFGFR1EGFRPRKAA1
SCHEMBL31672512 0.78 KDR (0.77) PDGFRBKDRFGFR1EGFRPRKAA1
SCHEMBL31672558 0.77 PDGFRB (0.73) PDGFRBKDRFGFR1EGFRPRKAA1
SCHEMBL2116220 0.77 PDGFRB (0.73) PDGFRBKDRFGFR1EGFRPRKAA1
Trifluoroacetic Acid SCHEMBL5513610 0.77 KDR (0.37) PDGFRBKDRFGFR1EGFRPRKAA1
SCHEMBL2115889 0.76 KDR (0.84) PDGFRBKDRFGFR1EGFRPRKAA1
SCHEMBL13755200 0.76 KDR (0.84) PDGFRBKDRFGFR1EGFRPRKAA1
SCHEMBL13755224 0.76 PDGFRB (0.81) PDGFRBKDRFGFR1EGFRPRKAA1

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
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed