SCHEMBL22985900

SCHEMBL22985900

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2cn[nH]c2n1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 1/20 0.74
▸ FLT3 P36888 1/20 0.74
▸ TTK P33981 3/20 0.59
▸ IGF1R P08069 11/20 0.54
▸ ALK Q9UM73 6/20 0.51
▸ INSR P06213 4/20 0.51
▸ PTK2 Q05397 2/20 0.48
▸ DCLK1 O15075 1/20 0.48
▸ MAPK7 Q13164 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.48
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 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
SCHEMBL22985897 0.93 FES (0.64) FESFLT3TTKIGF1RALK
SCHEMBL22985878 0.91 FES (0.61) FESFLT3TTKIGF1RALK
SCHEMBL22985905 0.91 FES (0.64) FESFLT3TTKIGF1RALK
SCHEMBL22985890 0.90 FES (0.60) FESFLT3TTKIGF1RALK
SCHEMBL3954048 0.85 FES (1.00) FESFLT3TTKIGF1RALK
SCHEMBL3954360 0.85 FES (0.86) FESFLT3TTKIGF1RALK
SCHEMBL21099605 0.82 ALK (0.62) FESFLT3TTKIGF1RALK
SCHEMBL3959984 0.81 FES (0.80) FESFLT3TTKIGF1RALK
SCHEMBL22985876 0.80 FES (0.49) FESFLT3IGF1RALKINSR
SCHEMBL22985860 0.79 LRRK2 (0.53) FESFLT3DCLK1MAPK7LRRK2

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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