Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6981679

N#Cc1[nH]c(=O)n(-c2cccc([N+](=O)[O-])c2)c1-c1cn(CCCCN)c2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
QPCT Q16769 1/20 0.38
CAMK2D Q13557 10/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
MAPT P10636 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
PIM1 P11309 1/20 0.35
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
SCHEMBL6980999 0.93 GSK3B (0.42) GSK3BQPCTCAMK2DPDE4APDE4B
Trifluoroacetic Acid SCHEMBL6983727 0.82 CAMK2D (0.44) CAMK2DMAPTCCNT1CCNA2CDK2
Trifluoroacetic Acid SCHEMBL6980387 0.82 CAMK2D (0.39) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6978549 0.82 GSK3B (0.39) GSK3BQPCTCAMK2DCCNT1CCNA2
Trifluoroacetic Acid SCHEMBL6982808 0.81 CAMK2D (0.46) GSK3BCAMK2DMAPTCCNT1CCNA2
Trifluoroacetic Acid SCHEMBL6985258 0.80 CAMK2D (0.39) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6984540 0.79 CAMK2D (0.46) GSK3BCAMK2DMAPTCCNT1CCNA2
Trifluoroacetic Acid SCHEMBL6977475 0.78 CAMK2D (0.48) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6985276 0.77 CAMK2D (0.49) GSK3BCAMK2DMAPTCCNT1CDK2
Trifluoroacetic Acid SCHEMBL6981733 0.76 CAMK2D (0.42) GSK3BCAMK2DMAPTCCNT1CCNA2

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 2 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