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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9952183

CCOc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C#N)c1C1CN(C(C)C)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.37
▸ AXL P30530 2/20 0.34
▸ MERTK Q12866 2/20 0.34

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 SCHEMBL9953549 0.92 PIK3CD (0.35) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL9928950 0.88 PIK3CD (0.40) PIK3CDAXLMERTK
SCHEMBL9952062 0.86 PIK3CD (0.37) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL9960928 0.85 WHR1 (0.31) —
SCHEMBL9953147 0.82 PIK3CD (0.37) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL9929573 0.81 PIK3CD (0.41) PIK3CDAXLMERTK
SCHEMBL9929054 0.80 PIK3CD (0.43) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL9953716 0.78 PIK3CD (0.36) PIK3CD
Trifluoroacetic Acid SCHEMBL9952121 0.78 — —
Trifluoroacetic Acid SCHEMBL9951953 0.77 PIK3CD (0.41) PIK3CD

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-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 — — EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 — — WO disclosed