Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2944189

NCC(=O)N1CCC(c2ccc(N)c(C3=CCCCC3)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 15/20 0.45
KIT P10721 8/20 0.45
CYP3A4 P08684 6/20 0.43
BMPR1B O00238 2/20 0.43
PLK4 O00444 2/20 0.43
STK25 O00506 2/20 0.43
RIOK3 O14730 2/20 0.43
CHEK1 O14757 2/20 0.43
GAK O14976 2/20 0.43
DCLK1 O15075 2/20 0.43
MUSK O15146 2/20 0.43
EPHB6 O15197 2/20 0.43
PDPK1 O15530 2/20 0.43
MAP3K13 O43283 2/20 0.43
DAPK3 O43293 2/20 0.43
MAP3K7 O43318 2/20 0.43
NUAK1 O60285 2/20 0.43
JAK2 O60674 2/20 0.43
ULK1 O75385 2/20 0.43
ERN1 O75460 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL3173783 0.90 KIT (0.55) CSF1RKITCYP3A4BMPR1BPLK4
Trifluoroacetic Acid SCHEMBL3080096 0.89 CSF1R (0.57) CSF1RKITCYP3A4BMPR1BPLK4
Trifluoroacetic Acid SCHEMBL3173721 0.89 KIT (0.54) CSF1RKITCYP3A4BMPR1BPLK4
Trifluoroacetic Acid SCHEMBL3093730 0.87 CSF1R (0.57) CSF1RKITCYP3A4BMPR1BPLK4
Trifluoroacetic Acid SCHEMBL3087736 0.87 CSF1R (0.57) CSF1RKITCYP3A4BMPR1BPLK4
Trifluoroacetic Acid SCHEMBL3081621 0.86 CSF1R (0.55) CSF1RKITCYP3A4BMPR1BPLK4
Trifluoroacetic Acid SCHEMBL3086039 0.85 CSF1R (0.52) CSF1RKITCYP3A4NTRK1LCK
Trifluoroacetic Acid SCHEMBL3080424 0.85 CSF1R (0.53) CSF1RKITCYP3A4NTRK1LCK
Trifluoroacetic Acid SCHEMBL3085222 0.84 CSF1R (0.59) CSF1RKITCYP3A4BMPR1BPLK4
SCHEMBL5260899 0.84 CSF1R (0.54) CSF1RKITCYP3A4BMPR1BPLK4

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-2222298-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER Janssen Pharmaceutica N.V. (BE) 2010-09-01 EP disclosed
WO-2009058801-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed
EP-2015748-A2 METHOD OF INHIBITING C KIT KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 EP disclosed
WO-2007124369-A2 METHOD OF INHIBITING C KIT KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed