Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9952333

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1C1CN(C(C)C)C(=O)CO1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 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 SCHEMBL9952275 0.91 PIK3CD (0.31) PIK3CD
Trifluoroacetic Acid SCHEMBL9929245 0.86 PIK3CD (0.41) PIK3CD
Trifluoroacetic Acid SCHEMBL9953716 0.83 PIK3CD (0.36) PIK3CD
Trifluoroacetic Acid SCHEMBL9953150 0.81 PIK3CD (0.33) PIK3CD
Trifluoroacetic Acid SCHEMBL9960928 0.80 WHR1 (0.31)
SCHEMBL9929494 0.79 PIK3CD (0.44) PIK3CD
Trifluoroacetic Acid SCHEMBL9960946 0.77 PDE11A (0.32)
Trifluoroacetic Acid SCHEMBL9929255 0.77 PIK3CD (0.42) PIK3CD
SCHEMBL9952257 0.76 PIK3CD (0.33) PIK3CD
Trifluoroacetic Acid SCHEMBL9952883 0.75 EGFR (0.33)

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