Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL31006779

FC(F)(F)c1cnc(N[C@@H]2CCCNC2)nc1OC1COC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 20/20 0.51
CDK12 Q9NYV4 20/20 0.51
CCNE1 P24864 15/20 0.51
CDK2 P24941 15/20 0.51
CCNT1 O60563 14/20 0.51
CDK9 P50750 14/20 0.51
CDK7 P50613 8/20 0.51
CCNH P51946 8/20 0.51
MNAT1 P51948 7/20 0.51

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
SCHEMBL25531573 0.93 CCNK (0.56) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL31006885 0.93 CCNK (0.56) CCNKCDK12CCNE1CDK2CCNT1
Trifluoroacetic Acid SCHEMBL31006790 0.81 PTK2 (0.40) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25522696 0.81 ULK1 (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL22998319 0.79 ULK1 (0.44) CDK2
SCHEMBL30397492 0.77 ULK1 (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30397931 0.77 CDK2 (0.41) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25531402 0.77 ULK1 (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25218005 0.77 CDK2 (0.41) CCNKCDK12CCNE1CDK2CCNT1
Trifluoroacetic Acid SCHEMBL28543258 0.77 CCNT1 (0.48) CCNKCDK12CCNE1CDK2CCNT1

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
CN-118480029-A 2-Aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-08-13 CN disclosed