Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6978751

COc1cc[nH]c1C=C1C(=O)Nc2cccc(C#CCN)c21.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.53
CDK2 P24941 19/20 0.53
CCNE2 O96020 18/20 0.53
MAPK8 P45983 1/20 0.52

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
Trifluoroacetic Acid SCHEMBL6979233 1.00 CCNE1 (0.53) CCNE1CDK2CCNE2MAPK8
SCHEMBL6979054 0.92 CCNE1 (0.57) CCNE1CDK2CCNE2MAPK8
SCHEMBL6979043 0.92 CCNE1 (0.57) CCNE1CDK2CCNE2MAPK8
Trifluoroacetic Acid SCHEMBL6978597 0.91 CCNE1 (0.63) CCNE1CDK2CCNE2MAPK8
Trifluoroacetic Acid SCHEMBL6976363 0.91 CCNE1 (0.63) CCNE1CDK2CCNE2MAPK8
SCHEMBL6972273 0.84 MAPK8 (0.59) CCNE1CDK2CCNE2MAPK8
SCHEMBL6972263 0.84 MAPK8 (0.59) CCNE1CDK2CCNE2MAPK8
SCHEMBL6973064 0.84 MAPK8 (0.57) CCNE1CDK2CCNE2MAPK8
SCHEMBL6973051 0.84 MAPK8 (0.57) CCNE1CDK2CCNE2MAPK8
SCHEMBL6978257 0.84 MAPK8 (0.55) CCNE1CDK2CCNE2MAPK8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP claimed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP claimed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US claimed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP disclosed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US disclosed
US-6252086-B1 CYCLIN-DEPENDENT KINASES INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-06-26 US disclosed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US disclosed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed