Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6985520

Cn1cc(-n2c(-c3cn(Cc4ccccc4CN)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
CAMK2D Q13557 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
TSHR P16473 2/20 0.35
CDK2 P24941 2/20 0.34
CCNA2 P20248 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
TPSAB1 Q15661 1/20 0.33

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
SCHEMBL6984203 0.93 PIM1 (0.41) PIM1CAMK2DALDH1A1GALR3RAB9A
Trifluoroacetic Acid SCHEMBL6986763 0.91 TPSAB1 (0.38) PIM1CAMK2DALDH1A1CCNT1CDK9
Trifluoroacetic Acid SCHEMBL6977475 0.89 CAMK2D (0.48) PIM1CAMK2DCCNT1CDK9CDK2
Trifluoroacetic Acid SCHEMBL6981001 0.89 TPSAB1 (0.41) PIM1CAMK2DTPSAB1
Trifluoroacetic Acid SCHEMBL6982808 0.88 CAMK2D (0.46) PIM1CAMK2DCCNT1CDK9TSHR
Trifluoroacetic Acid SCHEMBL6977279 0.85 CAMK2D (0.41) PIM1CAMK2DCCNT1CDK9TSHR
Trifluoroacetic Acid SCHEMBL6984346 0.84 PRKCA (0.50) PIM1CAMK2DCCNT1CDK9TSHR
Trifluoroacetic Acid SCHEMBL6979888 0.84 PRKACA (0.41) PIM1CAMK2DCCNT1CDK9TSHR
Trifluoroacetic Acid SCHEMBL6981733 0.84 CAMK2D (0.42) PIM1CAMK2DCCNT1CDK9TSHR
Trifluoroacetic Acid SCHEMBL6978145 0.83 CCNT1 (0.39) PIM1CAMK2DCCNT1CDK9CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed