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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4740268

Clc1ccc2c(c1)CCc1nc(Nc3ccccn3)nc(-c3ccccc3)c1-2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 1/20 0.41
▸ CNR2 P34972 1/20 0.37
▸ TYMS P04818 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ FNTA P49354 6/20 0.35
▸ FNTB P49356 6/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ MAT2A P31153 1/20 0.35
▸ SLC6A15 Q9H2J7 2/20 0.35
▸ HRH1 P35367 1/20 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
SCHEMBL14148144 0.92 CCNA2 (0.41) CNR2TYMSCCNA2CDK2MAT2A
Trifluoroacetic Acid SCHEMBL4740269 0.85 CCNA2 (0.41) GPR6CCNA2CDK2GRIK1KCNMA1
SCHEMBL14148423 0.76 CCNA2 (0.47) TYMSCCNA2CDK2
Trifluoroacetic Acid SCHEMBL4742391 0.73 TYMS (0.45) TYMS
SCHEMBL14148145 0.71 MAPT (0.50) TYMSCCNA2CDK2
SCHEMBL4739024 0.71 ADORA1 (0.50) CCNA2CDK2
SCHEMBL4739911 0.70 TYMS (0.52) TYMS
SCHEMBL4787500 0.62 TYMS (0.50) TYMS
SCHEMBL1183752 0.60 PLK1 (0.76) —
SCHEMBL4741269 0.60 ADORA1 (0.45) CCNA2CDK2HRH1

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-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 — — WO disclosed