SCHEMBL22985902

SCHEMBL22985902

CSc1ccccc1Nc1nc(Nc2ccc(N3CCC(O)CC3)cc2OC(C)C)nc2[nH]cnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.54
▸ DCLK1 O15075 3/20 0.52
▸ MAPK7 Q13164 3/20 0.52
▸ LRRK2 Q5S007 3/20 0.52
▸ FES P07332 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ PLK1 P53350 1/20 0.49
▸ ALK Q9UM73 8/20 0.47
▸ IGF1R P08069 6/20 0.47
▸ INSR P06213 4/20 0.47
▸ FGFR1 P11362 1/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ FGFR4 P22455 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ PLK4 O00444 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ TNK2 Q07912 1/20 0.42

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
SCHEMBL22985929 0.93 TTK (0.57) TTKDCLK1MAPK7LRRK2FES
SCHEMBL22985875 0.92 TTK (0.51) TTKDCLK1MAPK7LRRK2FES
SCHEMBL22985895 0.90 ALK (0.45) TTKDCLK1MAPK7LRRK2FES
SCHEMBL18018886 0.88 TTK (0.63) TTKDCLK1MAPK7LRRK2FES
SCHEMBL22985880 0.83 ALK (0.63) LRRK2FESFLT3PLK1ALK
SCHEMBL18018796 0.81 TTK (0.80) TTKDCLK1MAPK7LRRK2FES
SCHEMBL18018865 0.80 TTK (0.68) TTKDCLK1MAPK7LRRK2FES
SCHEMBL18018799 0.79 TTK (0.70) TTKDCLK1MAPK7LRRK2FES
SCHEMBL18018899 0.78 ALK (0.53) TTKDCLK1MAPK7LRRK2FES
SCHEMBL21100183 0.76 ALK (0.56) TTKDCLK1MAPK7LRRK2FES

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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