Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9936775

NC(=O)c1[nH]nc2c1ccc1cncnc12.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.34
RPS6KB1 P23443 10/20 0.34
AKT1 P31749 6/20 0.34
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
TRPV1 Q8NER1 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL1559614 0.91 CCNA2 (0.52) CCNA2CDK2CCNA1RPS6KB1AKT1
Hydrochloric Acid SCHEMBL1560040 0.90 CCNA2 (0.51) CCNA2CDK2CCNA1RPS6KB1AKT1
Phosphoric Acid SCHEMBL20600152 0.86 CCNA2 (0.48) CCNA2CDK2CCNA1RPS6KB1AKT1
SCHEMBL1558502 0.82 CCNA2 (0.38) CCNA2CDK2CCNA1RPS6KB1AKT1
Trifluoroacetic Acid SCHEMBL9936778 0.81 L3MBTL1 (0.34) L3MBTL1RPS6KB1AKT1CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL6052921 0.81 CCNA2 (0.37) CCNA2CDK2CCNA1RPS6KB1AKT1
SCHEMBL382261 0.75 EIF2AK4 (0.39) CCNA2CDK2CCNA1CSNK2A2CCNC
SCHEMBL1559078 0.72 RPS6KB1 (0.36) CCNA2CDK2CCNA1RPS6KB1AKT1
SCHEMBL29377248 0.72 RPS6KB1 (0.36) CCNA2CDK2CCNA1RPS6KB1AKT1
Trifluoroacetic Acid SCHEMBL28386678 0.72 PARP1 (0.51) L3MBTL1RPS6KB1AKT1

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-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 WO disclosed