Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21358543

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)ncc2N2CCOCC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.61
JAK3 P52333 5/20 0.61
JAK2 O60674 3/20 0.61
BLK P51451 2/20 0.61
BMX P51813 2/20 0.61
BTK Q06187 7/20 0.58
CTSC P53634 3/20 0.58
PLK4 O00444 1/20 0.58
GAK O14976 1/20 0.58
NUAK1 O60285 1/20 0.58
FLT3 P36888 1/20 0.58
PTK2 Q05397 1/20 0.58
ITK Q08881 1/20 0.58
ERBB4 Q15303 1/20 0.58
DCLK3 Q9C098 1/20 0.58
NUAK2 Q9H093 1/20 0.58
EML4 Q9HC35 1/20 0.58
EIF2AK4 Q9P2K8 1/20 0.58
ALK Q9UM73 1/20 0.58
JAK1 P23458 1/20 0.55

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
SCHEMBL21375235 0.86 EGFR (0.80) EGFRJAK3JAK2BLKBMX
SCHEMBL16370515 0.82 EGFR (0.71) EGFRJAK3JAK2BLKBMX
SCHEMBL21375548 0.81 EGFR (0.64) EGFRJAK3JAK2BLKBMX
SCHEMBL14915043 0.81 BTK (0.79) EGFRJAK3JAK2BLKBMX
SCHEMBL30672758 0.80 EGFR (0.81) EGFRJAK3JAK2BLKBMX
SCHEMBL16372156 0.80 EGFR (0.81) EGFRJAK3JAK2BLKBMX
SCHEMBL24392979 0.79 EGFR (0.68) EGFRJAK3JAK2BLKBMX
SCHEMBL29537106 0.79 EGFR (0.68) EGFRJAK3JAK2BLKBMX
SCHEMBL21358184 0.78 EGFR (0.65) EGFRJAK3JAK2BLKBMX
SCHEMBL21374887 0.78 EGFR (0.71) EGFRJAK3JAK2BLKBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019177374-A1 2, 4, 5-SUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER OR INFLAMMATORY DISEASE 포로노이바이오 주식회사 2019-09-19 WO disclosed