Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5313639

COCCOCCOc1cccc2c(C3C(=O)Nc4ccc(C#N)cc43)nccc12.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.35
ALK Q9UM73 2/20 0.35
GSK3A P49840 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CLK2 P49760 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
Trifluoroacetic Acid SCHEMBL5256029 0.86 ALK (0.39) ALKGSK3AAURKADAPK3PRKD3
SCHEMBL5255729 0.78 CHEK1 (0.43) ALKGSK3AAURKADAPK3PRKD3
SCHEMBL5255277 0.75 CHEK1 (0.44) ARALKGSK3AAURKADAPK3
SCHEMBL3935762 0.73 CHEK1 (0.58) ALKGSK3AAURKADAPK3PRKD3
SCHEMBL4518666 0.72 PDGFRB (0.46) PDGFRBFGFR1FLT1KDRCHEK1
Hydrochloric Acid SCHEMBL7206364 0.71 CHEK1 (0.46) PDGFRBFGFR1FLT1KDRCHEK1
SCHEMBL3942219 0.70 CHEK1 (0.60) ALKGSK3AAURKADAPK3PRKD3
SCHEMBL7211306 0.67 CHEK1 (0.54) PDGFRBFGFR1FLT1KDRCHEK1
SCHEMBL6511852 0.65 CHEK1 (0.39) ALKGSK3AAURKADAPK3PRKD3
SCHEMBL7206414 0.62 KDR (0.46) FGFR1FLT1KDR

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-1458707-B1 New Indol-2-one derivatives ASTRAZENECA AB (SE) 2007-05-02 EP claimed