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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9952275

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1C1CN(C(C)C)C(=O)O1.O=C(O)C(F)(F)F

nearest known ligand 0.31

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31

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 SCHEMBL9952333 0.91 PIK3CD (0.34) PIK3CD
Trifluoroacetic Acid SCHEMBL9929255 0.86 PIK3CD (0.42) PIK3CD
Trifluoroacetic Acid SCHEMBL9953716 0.84 PIK3CD (0.36) PIK3CDADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL9953150 0.82 PIK3CD (0.33) PIK3CDADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL9960928 0.81 WHR1 (0.31) ADORA2AADORA2B
SCHEMBL9929713 0.79 PIK3CD (0.45) PIK3CD
Trifluoroacetic Acid SCHEMBL9960946 0.78 PDE11A (0.32) ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL9929245 0.77 PIK3CD (0.41) PIK3CD
Trifluoroacetic Acid SCHEMBL9952883 0.76 EGFR (0.33) —
SCHEMBL9952257 0.75 PIK3CD (0.33) 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