SCHEMBL28845799

SCHEMBL28845799

O=C(O)c1[nH]c(F)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
THRB P10828 1/20 0.52
EIF4A3 P38919 1/20 0.37
HCAR2 Q8TDS4 1/20 0.31
GPR17 Q13304 2/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL9715507 0.69 JAK2 (1.00) JAK2THRBEIF4A3
Water SCHEMBL147605 0.67 JAK2 (0.96) JAK2THRBEIF4A3
SCHEMBL10627886 0.67 JAK2 (0.96) JAK2THRBEIF4A3
SCHEMBL10629768 0.67 JAK2 (0.96) JAK2THRBEIF4A3
SCHEMBL7135640 0.65
SCHEMBL8153488 0.64 PTK2 (0.46) JAK2THRBEIF4A3HCAR2
SCHEMBL22783664 0.59 JAK2 (0.61) JAK2THRB
SCHEMBL8847161 0.59 JAK2 (0.37) JAK2THRBGPR35
SCHEMBL2806470 0.59 JAK2 (0.48) JAK2THRB
SCHEMBL8004231 0.59 JAK2 (0.37) JAK2THRBHCAR2

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
CN-110003188-B Substituted pyrrole formate derivative and application thereof 成都麻沸散医药科技有限公司 2022-08-26 CN disclosed