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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9954032

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1cscn1.O=C(O)C(F)(F)F

nearest known ligand 0.32

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 1/20 0.32
▸ PIK3CD O00329 4/20 0.31
▸ PDE11A Q9HCR9 1/20 0.30
▸ ECE1 P42892 1/20 0.30

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 SCHEMBL9929550 0.82 PIK3CD (0.45) PIK3CDECE1
Trifluoroacetic Acid SCHEMBL9953198 0.82 PIK3CD (0.38) PTGDRPIK3CDPDE11A
Trifluoroacetic Acid SCHEMBL9953150 0.81 PIK3CD (0.33) PTGDRPIK3CDPDE11A
SCHEMBL9954036 0.81 ADORA2A (0.34) —
Trifluoroacetic Acid SCHEMBL9953716 0.80 PIK3CD (0.36) PIK3CDPDE11A
Trifluoroacetic Acid SCHEMBL9952359 0.79 PIK3CD (0.37) PIK3CD
SCHEMBL9953808 0.78 PIK3CD (0.38) PIK3CD
SCHEMBL9953815 0.78 PIK3CD (0.35) PIK3CD
SCHEMBL9952453 0.77 PIK3CD (0.42) PIK3CD
SCHEMBL9952100 0.76 PIK3CD (0.42) 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