SCHEMBL22985929

SCHEMBL22985929

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2SC)c2nc[nH]c2n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.57
▸ IGF1R P08069 7/20 0.54
▸ ALK Q9UM73 7/20 0.54
▸ INSR P06213 6/20 0.54
▸ FES P07332 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ DCLK1 O15075 1/20 0.51
▸ MAPK7 Q13164 1/20 0.51
▸ LRRK2 Q5S007 1/20 0.51
▸ PLK1 P53350 1/20 0.48
▸ PTK2 Q05397 2/20 0.47
▸ TNK2 Q07912 1/20 0.47

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
SCHEMBL22985902 0.93 TTK (0.54) TTKIGF1RALKINSRFES
SCHEMBL22985880 0.90 ALK (0.63) IGF1RALKINSRFESFLT3
SCHEMBL18018865 0.87 TTK (0.68) TTKIGF1RALKINSRFES
SCHEMBL22985875 0.85 TTK (0.51) TTKIGF1RALKINSRFES
SCHEMBL18018796 0.84 TTK (0.80) TTKIGF1RALKINSRFES
SCHEMBL22985895 0.83 ALK (0.45) TTKIGF1RALKINSRFES
SCHEMBL4768288 0.81 TTK (0.62) TTKALKINSRPTK2
SCHEMBL18018886 0.80 TTK (0.63) TTKIGF1RALKINSRFES
SCHEMBL18018913 0.80 EGFR (0.51) TTKIGF1RALKINSRFES
SCHEMBL18018892 0.80 TTK (0.50) TTKIGF1RALKINSRFES

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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