SCHEMBL22985861

SCHEMBL22985861

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2[S+]([O-])C(C)C)c2cn[nH]c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 3/20 0.59
▸ FLT3 P36888 3/20 0.59
▸ ALK Q9UM73 16/20 0.59
▸ INSR P06213 13/20 0.58
▸ IGF1R P08069 13/20 0.58
▸ EGFR P00533 4/20 0.55
▸ PDGFRB P09619 2/20 0.55
▸ PDGFRA P16234 2/20 0.55
▸ CHEK1 O14757 2/20 0.55
▸ AURKA O14965 2/20 0.55
▸ NUAK1 O60285 2/20 0.55
▸ JAK2 O60674 2/20 0.55
▸ STK10 O94804 2/20 0.55
▸ PRKD3 O94806 2/20 0.55
▸ CHEK2 O96017 2/20 0.55
▸ ABL1 P00519 2/20 0.55
▸ ERBB2 P04626 2/20 0.55
▸ LCK P06239 2/20 0.55
▸ FYN P06241 2/20 0.55
▸ CSF1R P07333 2/20 0.55

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
SCHEMBL22985873 0.87 FES (0.62) FESFLT3ALKINSRIGF1R
SCHEMBL28479268 0.86 ALK (0.79) FESFLT3ALKINSRIGF1R
SCHEMBL22985890 0.86 FES (0.60) FESFLT3ALKINSRIGF1R
SCHEMBL3953410 0.85 FES (0.82) FESFLT3ALKINSRIGF1R
SCHEMBL21099681 0.84 ALK (0.59) FESFLT3ALKINSRIGF1R
SCHEMBL3952863 0.84 ALK (0.75) FESFLT3ALKINSRIGF1R
SCHEMBL22985944 0.81 LRRK2 (0.52) FESFLT3LRRK2DCLK1MAPK7
SCHEMBL21099500 0.80 ALK (0.59) FESFLT3ALKINSRIGF1R
SCHEMBL22985878 0.80 FES (0.61) FESFLT3ALKINSRIGF1R
SCHEMBL4045834 0.78 FES (0.84) FESFLT3ALKINSRIGF1R

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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