Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29875659

CN1CCN(c2ccc(Nc3cc4cc(C(N)=O)ccc4nc3C(=O)N(C)C)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.44
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ MAPKAPK2 P49137 4/20 0.42
▸ FYN P06241 1/20 0.41
▸ TNIK Q9UKE5 2/20 0.41
▸ BTK Q06187 2/20 0.41
▸ CCNT1 O60563 2/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ CDK11A Q9UQ88 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ NPC1 O15118 1/20 0.39

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 SCHEMBL29876164 0.81 ADRA2A (0.55) PTK2ADRA2AADRA2BADRA2CL3MBTL1
Trifluoroacetic Acid SCHEMBL28891676 0.81 ADRA2A (0.55) PTK2ADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL29875822 0.76 KDM4E (0.38) TNIKCHEK1
SCHEMBL28862861 0.71 CHEK1 (0.51) FYNTNIKCCNT1CDK4CCND1
SCHEMBL28891651 0.71 SLC2A1 (0.54) ADRA2AADRA2BADRA2CMAPKAPK2TNIK
SCHEMBL11031045 0.70 RAD52 (0.55) PTK2RAD52MAPKAPK2FYNTNIK
SCHEMBL28891629 0.69 SLC2A1 (0.47) ADRA2AADRA2BADRA2CTNIKBTK
SCHEMBL4143075 0.69 MAPKAPK2 (0.75) ADRA2AADRA2BADRA2CRAD52MAPKAPK2
SCHEMBL11031445 0.68 SLC2A1 (0.51) PTK2RAD52MAPKAPK2BTKCCNT1
SCHEMBL11031861 0.67 SLC2A1 (0.55) ADRA2AADRA2BADRA2CMAPKAPK2TNIK

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-115197154-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 — — CN disclosed
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