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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21596381

CCN1CCN(c2ccc(Nc3ncc(C#N)c(Oc4ccccc4)n3)c(OC(N)=O)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.47
▸ EGFR P00533 16/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ PLK3 Q9H4B4 1/20 0.44
▸ PLK2 Q9NYY3 1/20 0.44
▸ NUAK2 Q9H093 2/20 0.43
▸ NUAK1 O60285 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL30380211 0.96 PTK2 (0.51) PTK2EGFRNUAK2NUAK1IGF1R
SCHEMBL28531524 0.96 PTK2 (0.51) PTK2EGFRNUAK2NUAK1IGF1R
SCHEMBL30379302 0.83 SLC2A1 (0.47) PTK2EGFRPLK1PLK3PLK2
SCHEMBL21600825 0.81 EGFR (0.44) PTK2EGFRNUAK2NUAK1IGF1R
SCHEMBL21596338 0.80 FGFR4 (0.51) PTK2EGFRNUAK2NUAK1
SCHEMBL28532459 0.80 FGFR1 (0.49) PTK2EGFRPLK1IGF1RCDK2
SCHEMBL30379611 0.80 FGFR1 (0.49) PTK2EGFRPLK1IGF1RCDK2
SCHEMBL28533769 0.78 ALK (0.56) PTK2EGFRPLK1IGF1R
SCHEMBL28953571 0.78 ALK (0.58) PTK2EGFRPLK1NUAK1IGF1R
SCHEMBL28909332 0.78 IGF1R (0.52) PTK2PLK1PLK3PLK2IGF1R

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
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 — — WO disclosed
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