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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5626863

NC1CCN(Cc2ccn3ncnc(Nc4cccc5cccnc45)c23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 12/20 0.61
▸ EGFR P00533 11/20 0.61
▸ AAK1 Q2M2I8 8/20 0.53
▸ LCK P06239 1/20 0.51
▸ KDR P35968 1/20 0.51

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
SCHEMBL1218725 0.92 ERBB2 (0.70) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5627796 0.88 ERBB2 (0.60) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5626103 0.87 ERBB2 (0.58) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5627012 0.85 EGFR (0.62) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5629559 0.82 ERBB2 (0.63) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5625846 0.81 EGFR (0.84) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5625697 0.81 EGFR (0.66) ERBB2EGFRAAK1LCKKDR
SCHEMBL1219831 0.79 ERBB2 (0.69) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5625586 0.79 EGFR (0.70) ERBB2EGFRAAK1LCKKDR
Trifluoroacetic Acid SCHEMBL5629155 0.79 EGFR (0.63) ERBB2EGFRAAK1LCKKDR

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-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 — — US disclosed
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