SCHEMBL22985897

SCHEMBL22985897

CCOc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2cn[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 1/20 0.64
▸ FLT3 P36888 1/20 0.64
▸ TTK P33981 5/20 0.51
▸ DCLK1 O15075 3/20 0.51
▸ MAPK7 Q13164 3/20 0.51
▸ LRRK2 Q5S007 3/20 0.51
▸ PLK4 O00444 2/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ PI4KA P42356 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ TNK2 Q07912 1/20 0.51
▸ TNK1 Q13470 1/20 0.51
▸ RPS6KA2 Q15349 1/20 0.51
▸ RPS6KA1 Q15418 1/20 0.51
▸ BRDT Q58F21 1/20 0.51
▸ DCLK2 Q8N568 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ GAK O14976 1/20 0.46
▸ PLK1 P53350 1/20 0.46

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
SCHEMBL22985900 0.93 FES (0.74) FESFLT3TTKDCLK1MAPK7
SCHEMBL3958582 0.86 FES (0.87) FESFLT3TTKDCLK1MAPK7
SCHEMBL22985905 0.84 FES (0.64) FESFLT3TTKPTK2IGF1R
SCHEMBL22985878 0.84 FES (0.61) FESFLT3TTKDCLK1MAPK7
SCHEMBL22985890 0.83 FES (0.60) FESFLT3TTKDCLK1MAPK7
SCHEMBL21099489 0.83 ALK (0.54) FESFLT3TTKDCLK1MAPK7
SCHEMBL3959984 0.79 FES (0.80) FESFLT3TTKDCLK1MAPK7
SCHEMBL3954048 0.78 FES (1.00) FESFLT3TTKDCLK1MAPK7
SCHEMBL12780076 0.78 ALK (0.64) FESFLT3TTKDCLK1MAPK7
SCHEMBL3954360 0.78 FES (0.86) FESFLT3TTKDCLK1MAPK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
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