Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16718895

N#Cc1ccc(N2CCC(NC(=O)c3c(N)nn4cccnc34)CC2)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.49
▸ DPP8 Q6V1X1 1/20 0.49
▸ DPP9 Q86TI2 1/20 0.49
▸ DPP7 Q9UHL4 1/20 0.49
▸ JAK2 O60674 6/20 0.42
▸ JAK3 P52333 6/20 0.42
▸ JAK1 P23458 4/20 0.42
▸ KCNH2 Q12809 4/20 0.42
▸ ATR Q13535 1/20 0.41
▸ CHRM4 P08173 3/20 0.41
▸ PIK3CD O00329 4/20 0.39
▸ PIK3CG P48736 4/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ RET P07949 2/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL16729253 0.94 JAK2 (0.46) DPP4JAK2JAK3JAK1KCNH2
SCHEMBL16729255 0.90 ACKR3 (0.46) DPP4DPP8DPP9DPP7JAK2
SCHEMBL16729336 0.90 ACKR3 (0.46) DPP4DPP8DPP9DPP7JAK2
SCHEMBL16729338 0.90 ACKR3 (0.46) DPP4DPP8DPP9DPP7JAK2
SCHEMBL16718898 0.86 CHRM4 (0.50) JAK2JAK3JAK1KCNH2ATR
SCHEMBL16729261 0.85 JAK2 (0.44) JAK2JAK3JAK1KCNH2ATR
SCHEMBL16718884 0.85 JAK2 (0.43) DPP4DPP8DPP9DPP7JAK2
SCHEMBL16718861 0.81 ACKR3 (0.45) DPP4DPP8DPP9DPP7JAK2
SCHEMBL16729335 0.81 HSD11B1 (0.45) DPP4DPP8DPP9DPP7JAK2
SCHEMBL16729256 0.80 CHRM4 (0.43) DPP4JAK2JAK3JAK1KCNH2

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-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 — — WO disclosed
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