Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25223128

C[C@H]1CC[C@@H](Nc2ncc(C(F)(F)F)cn2)CN1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 11/20 0.39
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ MNAT1 P51948 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ IL1B P01584 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ HCRTR2 O43614 5/20 0.37
▸ GAA P10253 1/20 0.36
▸ MCHR1 Q99705 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
Trifluoroacetic Acid SCHEMBL30397876 1.00 HCRTR1 (0.39) HCRTR1CCNKCDK12CDK7CCNH
SCHEMBL25539391 0.91 CCNK (0.43) HCRTR1CCNKCDK12CDK7CCNH
SCHEMBL29749413 0.91 CCNK (0.43) HCRTR1CCNKCDK12CDK7CCNH
Trifluoroacetic Acid SCHEMBL30915024 0.79 HRH4 (0.49) HCRTR1CCNKCDK12CHEK1PTGDR2
SCHEMBL30397933 0.72 PTGDR2 (0.42) HCRTR1CCNKCDK12PTGDR2HCRTR2
SCHEMBL28549701 0.71 IDH2 (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22895847 0.71 IDH2 (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL31581713 0.71 HCRTR1 (0.45) HCRTR1CCNKCDK12PTGDR2HCRTR2
SCHEMBL26126794 0.70 IDH2 (0.40) HCRTR1
Hydrochloric Acid SCHEMBL29777672 0.70 IDH2 (0.53) 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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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