Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL31243719

CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4cc(C(N)=O)ccc4Cl)cc23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.49
▸ GSK3B P49841 6/20 0.46
▸ GSK3A P49840 5/20 0.46
▸ KDR P35968 1/20 0.43
▸ DYRK1A Q13627 9/20 0.42
▸ WNT1 P04628 6/20 0.42
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41

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 SCHEMBL26130936 1.00 AAK1 (0.49) AAK1GSK3BGSK3AKDRDYRK1A
SCHEMBL26395050 0.94 AAK1 (0.55) AAK1GSK3BGSK3ADYRK1AWNT1
Trifluoroacetic Acid SCHEMBL26128579 0.87 GSK3B (0.45) GSK3BGSK3AKDRDYRK1AWNT1
Trifluoroacetic Acid SCHEMBL31243591 0.87 GSK3B (0.45) GSK3BGSK3AKDRDYRK1AWNT1
Trifluoroacetic Acid SCHEMBL31243436 0.86 GSK3B (0.45) GSK3BGSK3AKDRDYRK1AWNT1
Trifluoroacetic Acid SCHEMBL26130606 0.86 GSK3B (0.45) GSK3BGSK3AKDRDYRK1AWNT1
SCHEMBL26394543 0.85 DYRK1A (0.48) AAK1GSK3BGSK3AKDRDYRK1A
Hydrochloric Acid SCHEMBL26129195 0.85 DYRK1A (0.47) AAK1GSK3BGSK3AKDRDYRK1A
SCHEMBL26394375 0.84 GSK3B (0.51) AAK1GSK3BGSK3AKDRDYRK1A
SCHEMBL26394851 0.84 AAK1 (0.69) AAK1GSK3BGSK3ADYRK1AWNT1

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
CN-118974020-A Substituted 3-aminoindazole derivatives as kinase inhibitors 内尔维亚诺医疗科学公司 2024-11-15 — — CN disclosed
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