Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1640355

COc1cccc(C(=O)Nc2cccc(-c3nc(C)sc3-c3ccnc(Nc4ccc5c(c4)CN(C)CC5)n3)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.61
PTK2 Q05397 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
IGF1R P08069 1/20 0.47
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
ROCK2 O75116 7/20 0.43
MAP3K14 Q99558 1/20 0.43
ABCB1 P08183 1/20 0.42
SYK P43405 1/20 0.41

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
SCHEMBL12766503 0.96 BRAF (0.64) BRAFPTK2CDK19EGFRERBB2
SCHEMBL1641784 0.89 BRAF (0.65) BRAFEGFRERBB2IGF1R
Trifluoroacetic Acid SCHEMBL1641078 0.86 BRAF (0.64) BRAFCDK19EGFRERBB2IGF1R
SCHEMBL13815937 0.86 BRAF (0.68) BRAFEGFRERBB2IGF1RCDK2
SCHEMBL1640358 0.84 BRAF (0.53) BRAFEGFRERBB2IGF1RCCNA2
SCHEMBL1640365 0.84 BRAF (0.64) BRAFCDK19EGFRERBB2IGF1R
SCHEMBL12726671 0.82 BRAF (0.68) BRAFCDK19EGFRERBB2IGF1R
SCHEMBL12726658 0.81 BRAF (0.63) BRAFEGFRERBB2IGF1RROCK2
SCHEMBL1640449 0.81 BRAF (0.61) BRAFEGFRERBB2IGF1RCCNA2
SCHEMBL1641799 0.77 BRAF (0.59) BRAFEGFRERBB2IGF1RCDK2

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
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 BRAF 151/4885PTK2 118/4885CDK19 127/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.