Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL13736680

Nc1cccnn1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
CYP1A2 P05177 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
C1S P09871 2/20 0.36
KMT2A Q03164 1/20 0.36
CXCR4 P61073 1/20 0.35
CES1 P23141 1/20 0.35
NAPRT Q6XQN6 2/20 0.35
GOT1 P17174 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
UBE2N P61088 1/20 0.33
HDAC4 P56524 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
Acetic Acid SCHEMBL28012854 0.82 P2RX7 (0.44) P2RX7CYP1A2KMT2ACES1NAPRT
Benzene SCHEMBL3466087 0.82 GOT1 (0.46) P2RX7CYP1A2CES1NAPRTGOT1
SCHEMBL30068488 0.79
SCHEMBL26878 0.79
Maleic Acid SCHEMBL28002349 0.79 P2RX7 (0.42) P2RX7CYP1A2KMT2ACES1NAPRT
Maleic Acid SCHEMBL28002347 0.79 P2RX7 (0.42) P2RX7CYP1A2KMT2ACES1NAPRT
Trifluoroacetic Acid SCHEMBL25283802 0.79 P2RX7 (0.50) P2RX7CYP1A2DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL28322762 0.78 CXCR4 (0.35) DPP4DPP8DPP9CDK5CDK5R1
Trifluoroacetic Acid SCHEMBL30489000 0.78 P2RX7 (0.49) P2RX7CYP1A2DPP4DPP8DPP9
Cadaverine Tartrate SCHEMBL27776744 0.78 CYP1A2 (0.47) P2RX7CYP1A2L3MBTL1KMT2ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP disclosed
CN-101600718-B Imidazo [1,2-B ] pyridazine and pyrazolo [1,5-A ] pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN INC 2013-07-03 CN disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO disclosed
CN-101654452-A Heterocyclic compounds and methods of use. TARGEGEN INC US 2010-02-24 CN disclosed
CN-101600718-A Imidazo [1, 2-B ] pyridazine and pyrazolo [1, 5-A ] pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN INC (US) 2009-12-09 CN disclosed