Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3963232

CN1CCN(CCCNc2ncc(Cl)c(-c3cc4ccc(C(N)=O)cc4s3)n2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 17/20 0.46
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
PLK2 Q9NYY3 1/20 0.41
EGFR P00533 4/20 0.41
FGFR2 P21802 3/20 0.41
FGFR4 P22455 3/20 0.41
FGFR3 P22607 3/20 0.41
SRC P12931 3/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCZ Q05513 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKD1 Q15139 1/20 0.41

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
Hydrochloric Acid SCHEMBL3961794 0.94 FGFR1 (0.49) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3958581 0.89 FGFR1 (0.47) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3962047 0.88 FGFR1 (0.46) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3964101 0.86 FGFR1 (0.46) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3969440 0.85 FGFR1 (0.45) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3963641 0.85 FGFR1 (0.45) FGFR1PLK1PLK3PLK2EGFR
Trifluoroacetic Acid SCHEMBL3964521 0.85 FGFR1 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3964265 0.85 FGFR1 (0.45) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3965763 0.84 FGFR1 (0.54) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3965439 0.84 FGFR1 (0.48) FGFR1EGFRFGFR2FGFR4FGFR3

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
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed