Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29361498

Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1OC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.42
▸ CCNK O75909 5/20 0.42
▸ CCNE1 P24864 5/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CDK12 Q9NYV4 5/20 0.42
▸ GSK3B P49841 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ NFATC1 O95644 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ GPR6 P46095 1/20 0.35
▸ MALT1 Q9UDY8 2/20 0.34
▸ CDK7 P50613 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL25027642 0.92 GSK3B (0.47) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29361361 0.91 CCNT1 (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29362063 0.86 GSK3B (0.45) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25029249 0.86 GSK3B (0.45) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29363835 0.85 CCNT1 (0.46) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29361434 0.84 GSK3B (0.38) CCNT1CCNKCCNE1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29005438 0.83 CCNT1 (0.42) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25028661 0.83 GSK3B (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29364439 0.83 GSK3B (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25213035 0.82 GPR119 (0.44) GSK3BDYRK1ANFATC1

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
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