Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3713650

CCOc1cncc(-c2ccc3nc(N)sc3c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.62
PIK3CA P42336 14/20 0.58
PI4KA P42356 12/20 0.58
PI4KB Q9UBF8 12/20 0.58
PIK3CD O00329 10/20 0.58
PIK3CB P42338 10/20 0.58
PIP5K1C O60331 3/20 0.58
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALKBH5 Q6P6C2 1/20 0.47
FTO Q9C0B1 1/20 0.47
PPARA Q07869 1/20 0.46

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
SCHEMBL3718112 0.89 PIK3CA (0.70) PIK3CGPIK3CAPI4KAPI4KBPIK3CD
SCHEMBL3712055 0.78 PIK3CG (0.84) PIK3CGPIK3CAALDH1A1TP53HSD17B10
SCHEMBL3710766 0.78 PIK3CA (0.68) PIK3CGPIK3CAPI4KAPI4KBPIK3CD
SCHEMBL188830 0.77 PIK3CA (0.75) PIK3CGPIK3CAPI4KAPI4KBPIK3CD
SCHEMBL13188383 0.76 PIK3CG (1.00) PIK3CGPIK3CAALDH1A1CYP3A4
SCHEMBL233589 0.74 CYP3A4 (1.00) PIK3CGPIK3CAPI4KAPI4KBPIK3CD
SCHEMBL29714022 0.73 PI4KA (0.60) PIK3CGPIK3CAPI4KAPI4KBPIK3CD
SCHEMBL22470569 0.73 PI4KA (0.60) PIK3CGPIK3CAPI4KAPI4KBPIK3CD
SCHEMBL3708484 0.72 SCN4A (0.62) PIK3CGPIK3CAPI4KAPI4KBPIK3CD
SCHEMBL22470617 0.72 PIK3CA (0.59) PIK3CGPIK3CAPI4KAPI4KBPIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed