Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29363835

Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1NC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.46
▸ CCNK O75909 6/20 0.46
▸ CCNE1 P24864 6/20 0.46
▸ CDK2 P24941 6/20 0.46
▸ CDK9 P50750 6/20 0.46
▸ CDK12 Q9NYV4 6/20 0.46
▸ NFATC1 O95644 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ BRD4 O60885 5/20 0.37
▸ ATAD2 Q6PL18 5/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CCNH P51946 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GPR6 P46095 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36

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
SCHEMBL25027641 0.92 CCNT1 (0.47) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29363458 0.91 CCNT1 (0.59) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29361385 0.87 CCNT1 (0.53) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25028778 0.87 CCNT1 (0.53) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29361498 0.85 CCNT1 (0.42) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29364340 0.84 CCNT1 (0.51) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25027665 0.82 CCNT1 (0.60) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29361361 0.79 CCNT1 (0.48) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29364185 0.79 DYRK1A (0.41) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25029001 0.78 DYRK1A (0.43) CCNT1CCNKCCNE1CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 — — WO disclosed
Send feedback