Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1640519

CN1CCc2ccc(Nc3nccc(-c4sc(N)nc4-c4cccc(N(C)C(=O)c5c(F)cccc5F)c4)n3)cc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 7/20 0.60
▸ EGFR P00533 3/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ IGF1R P08069 2/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ ACVR1 Q04771 4/20 0.40
▸ KDR P35968 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL12726225 0.84 BRAF (0.82) BRAFEGFRERBB2IGF1RKDR
SCHEMBL1641762 0.82 CDK4 (0.47) BRAFEGFRERBB2IGF1RKCNH2
SCHEMBL1641842 0.80 BRAF (0.45) BRAF
SCHEMBL1792198 0.80 BRAF (0.78) BRAFEGFRERBB2IGF1RKDR
SCHEMBL1641673 0.79 BRAF (0.68) BRAFEGFRERBB2IGF1RKDR
SCHEMBL12726358 0.78 BRAF (0.81) BRAFEGFRERBB2IGF1RKDR
Hydrochloric Acid SCHEMBL1640280 0.77 BRAF (0.42) BRAFEGFRERBB2IGF1RKCNH2
SCHEMBL1640538 0.77 KDR (0.45) BRAFEGFRERBB2IGF1RKCNH2
SCHEMBL1640516 0.77 EGFR (0.43) BRAFEGFRERBB2IGF1RKDR
SCHEMBL1640512 0.76 EGFR (0.46) BRAFEGFRERBB2IGF1RKDR

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 151/4885EGFR 478/4885ERBB2 69/4885

“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.

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