Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6983727

N#Cc1[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c1-c1cn(CCCCN)c2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.44
NTRK1 P04629 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
PIM1 P11309 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
SCN9A Q15858 2/20 0.35

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
SCHEMBL7671215 0.93 CAMK2D (0.49) CAMK2DNTRK1IGF1RFGFR1NTRK3
Trifluoroacetic Acid SCHEMBL6978549 0.93 GSK3B (0.39) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6980387 0.89 CAMK2D (0.39) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL6981835 0.85 CAMK2D (0.43) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6982808 0.84 CAMK2D (0.46) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6985258 0.83 CAMK2D (0.39) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6984540 0.82 CAMK2D (0.46) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6981679 0.82 GSK3B (0.38) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL6977088 0.81 CAMK2D (0.43) CAMK2DCCNT1CCNA2CDK2CDK9
Trifluoroacetic Acid SCHEMBL6977475 0.81 CAMK2D (0.48) CAMK2DCCNT1CCNA2CDK2CDK9

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