SCHEMBL22985878

SCHEMBL22985878

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2cn[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 2/20 0.61
▸ FLT3 P36888 2/20 0.61
▸ IGF1R P08069 10/20 0.55
▸ ALK Q9UM73 7/20 0.52
▸ PDGFRB P09619 2/20 0.51
▸ PDGFRA P16234 2/20 0.51
▸ INSR P06213 5/20 0.51
▸ AXL P30530 2/20 0.51
▸ TTK P33981 4/20 0.51
▸ EGFR P00533 2/20 0.50
▸ MAP3K7 O43318 2/20 0.48
▸ BMPR1B O00238 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ STK25 O00506 1/20 0.48
▸ RIOK3 O14730 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ CASK O14936 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ DCLK1 O15075 1/20 0.48

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
SCHEMBL22985890 0.94 FES (0.60) FESFLT3IGF1RALKPDGFRB
SCHEMBL22985900 0.91 FES (0.74) FESFLT3IGF1RALKINSR
SCHEMBL22985905 0.88 FES (0.64) FESFLT3IGF1RALKINSR
SCHEMBL4045834 0.85 FES (0.84) FESFLT3IGF1RALKPDGFRB
SCHEMBL22985897 0.84 FES (0.64) FESFLT3IGF1RALKINSR
SCHEMBL22985876 0.83 FES (0.49) FESFLT3IGF1RALKINSR
SCHEMBL19921199 0.82 ALK (0.49) FESFLT3IGF1RALKPDGFRB
SCHEMBL23010799 0.81 EGFR (0.49) FESFLT3IGF1RALKPDGFRB
SCHEMBL22985861 0.80 FES (0.59) FESFLT3IGF1RALKPDGFRB
SCHEMBL3953410 0.80 FES (0.82) FESFLT3IGF1RALKPDGFRB

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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