Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29352336

CS(=O)(=O)Cc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C1CC1N.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 17/20 0.63
▸ CSNK2A1 P68400 10/20 0.56
▸ CSNK2B P67870 8/20 0.56
▸ KCNH2 Q12809 4/20 0.55
▸ HIPK2 Q9H2X6 3/20 0.54
▸ DYRK3 O43781 2/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ PIM3 Q86V86 1/20 0.54
▸ HIPK1 Q86Z02 2/20 0.54
▸ DYRK2 Q92630 2/20 0.54
▸ HIPK3 Q9H422 2/20 0.54
▸ STK17A Q9UEE5 1/20 0.54
▸ DAPK3 O43293 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ HIPK4 Q8NE63 1/20 0.52
▸ DYRK4 Q9NR20 1/20 0.52
▸ DAPK2 Q9UIK4 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52

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
SCHEMBL19742591 0.94 CSNK2A2 (0.71) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29355545 0.93 CSNK2A2 (0.61) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29355704 0.91 CSNK2A2 (0.59) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29354507 0.89 CSNK2A2 (0.64) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29352566 0.88 CSNK2A2 (0.62) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29352638 0.88 CSNK2A2 (0.62) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29355671 0.88 CSNK2A2 (0.61) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29354134 0.87 CSNK2A2 (0.60) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29355485 0.86 CSNK2A2 (0.67) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2
Trifluoroacetic Acid SCHEMBL29355859 0.86 CSNK2A2 (0.67) CSNK2A2CSNK2A1CSNK2BKCNH2HIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 — — EP claimed
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 — — EP disclosed
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