Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL31243397

C[C@@H]1CC[C@@H](C(=O)Nc2n[nH]c3ccc(-c4cc(C#N)ccc4Cl)cc23)CN1.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.40
▸ GSK3A P49840 8/20 0.40
▸ AAK1 Q2M2I8 5/20 0.39
▸ CDK2 P24941 3/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 1/20 0.37
▸ PAK1 Q13153 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CDK7 P50613 1/20 0.37

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 SCHEMBL26131410 1.00 GSK3B (0.40) GSK3BGSK3AAAK1CDK2PIM1
SCHEMBL26396836 0.95 GSK3B (0.41) GSK3BGSK3AAAK1CDK2PIM1
SCHEMBL26129555 0.88 GSK3B (0.42) GSK3BGSK3AAAK1CDK2PIM1
Trifluoroacetic Acid SCHEMBL31243591 0.86 GSK3B (0.45) GSK3BGSK3AKDRDYRK1A
Trifluoroacetic Acid SCHEMBL26128579 0.86 GSK3B (0.45) GSK3BGSK3AKDRDYRK1A
Trifluoroacetic Acid SCHEMBL31243453 0.84 GSK3A (0.46) GSK3BGSK3AAAK1CDK2PIM1
Trifluoroacetic Acid SCHEMBL26130592 0.84 GSK3A (0.46) GSK3BGSK3AAAK1CDK2PIM1
Trifluoroacetic Acid SCHEMBL26130669 0.84 GSK3A (0.46) GSK3BGSK3AAAK1CDK2PIM1
Trifluoroacetic Acid SCHEMBL31243409 0.84 GSK3A (0.46) GSK3BGSK3AAAK1CDK2PIM1
Hydrochloric Acid SCHEMBL26132402 0.83 ULK1 (0.43) GSK3BGSK3AAAK1CDK2PIM1

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
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 claimed
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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