Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30260987

NC(=O)C1CCN(c2ccc3c(-c4nc(N[C@H]5CCCCNC5)ncc4C(F)(F)F)c[nH]c3c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.74
▸ CDK12 Q9NYV4 20/20 0.74
▸ CDK7 P50613 10/20 0.74
▸ CCNH P51946 10/20 0.74
▸ MNAT1 P51948 8/20 0.74
▸ CCNE1 P24864 12/20 0.66
▸ CDK2 P24941 12/20 0.66
▸ CCNT1 O60563 10/20 0.66
▸ CDK9 P50750 10/20 0.66

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
SCHEMBL24589009 0.86 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24584360 0.86 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
Trifluoroacetic Acid SCHEMBL30260865 0.81 CCNK (0.70) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839846 0.80 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30260898 0.80 CCNK (0.89) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25594512 0.79 CCNK (0.78) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25591386 0.79 CCNK (0.78) CCNKCDK12CDK7CCNHMNAT1
Hydrochloric Acid SCHEMBL30260915 0.79 CCNK (0.82) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30260951 0.79 CCNK (0.95) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839704 0.78 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1

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
WO-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
Send feedback