Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29363458

Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1NC1CCCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 17/20 0.59
▸ CCNK O75909 17/20 0.59
▸ CDK9 P50750 17/20 0.59
▸ CDK12 Q9NYV4 17/20 0.59
▸ CCNE1 P24864 15/20 0.59
▸ CDK2 P24941 15/20 0.59
▸ CDK7 P50613 9/20 0.47
▸ CCNH P51946 9/20 0.47
▸ MNAT1 P51948 6/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL25027665 0.92 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
Trifluoroacetic Acid SCHEMBL29363835 0.91 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29361385 0.87 CCNT1 (0.53) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25028778 0.87 CCNT1 (0.53) CCNT1CCNKCDK9CDK12CCNE1
Trifluoroacetic Acid SCHEMBL29364340 0.84 CCNT1 (0.51) CCNT1CCNKCDK9CDK12CCNE1
Trifluoroacetic Acid SCHEMBL29361361 0.84 CCNT1 (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25027641 0.82 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
Trifluoroacetic Acid SCHEMBL29361498 0.79 CCNT1 (0.42) CCNT1CCNKCDK9CDK12CCNE1
Trifluoroacetic Acid SCHEMBL29005459 0.79 CCNK (0.44) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26719608 0.77 JAK3 (0.43) CCNT1CCNKCDK9CDK12CCNE1

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