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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2013265

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OCC1CCCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.33
▸ BTK Q06187 11/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ ITGB2 P05107 1/20 0.31
▸ ICAM1 P05362 1/20 0.31
▸ ITGAL P20701 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ METAP2 P50579 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
SCHEMBL2016501 0.94 KHK (0.36) KHKBTKMAP4K4METAP2
Trifluoroacetic Acid SCHEMBL2013515 0.89 SLC40A1 (0.36) CRHR1METAP2
Trifluoroacetic Acid SCHEMBL2012687 0.89 MAPT (0.33) CRHR1
Trifluoroacetic Acid SCHEMBL2016494 0.87 ATR (0.33) SCN10A
Trifluoroacetic Acid SCHEMBL2013263 0.85 PIK3CD (0.40) KHKBTKDYRK1ASCN10AITGB2
Trifluoroacetic Acid SCHEMBL2013474 0.85 GPR6 (0.32) CRHR1METAP2
SCHEMBL2016811 0.84 METAP2 (0.34) BTKMETAP2
SCHEMBL2014977 0.82 SLC40A1 (0.38) METAP2
SCHEMBL2014980 0.82 SLC40A1 (0.38) METAP2
SCHEMBL2017050 0.81 SLC40A1 (0.40) METAP2

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO disclosed