Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30385267

NCCCNC(=O)c1ccc(Nc2nccn3c(I)cnc23)cc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NTRK1 P04629 4/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ CSNK1D P48730 2/20 0.34
▸ TTK P33981 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CSNK2A3 Q8NEV1 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ BRAF P15056 1/20 0.33

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 SCHEMBL28982190 0.90 SYK (0.34) PTK6LRRK2CSNK1DTTK
Trifluoroacetic Acid SCHEMBL28982169 0.81 PTK6 (0.39) PTK6SMN1; SMN2LRRK2NTRK1TTK
SCHEMBL25288956 0.81 PTK6 (0.48) PTK6TTKBRAF
SCHEMBL28982156 0.80 PTK6 (0.43) PTK6ALDH1A1POLBKDM4EGAA
SCHEMBL22123948 0.80 PTK6 (0.49) PTK6ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL25282280 0.79 PTK6 (0.47) PTK6MALT1TTKBRAF
SCHEMBL28961286 0.79 PTK6 (0.47) PTK6POLBTTKADORA3
SCHEMBL25173550 0.77 PTK6 (0.42) PTK6KDM4EGAASMN1; SMN2ADORA3
SCHEMBL28916262 0.76 TTK (0.36) PTK6KDM4EGAASMN1; SMN2KMT2A
SCHEMBL25288598 0.76 PTK6 (0.45) PTK6TTKBRAF

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-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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