SCHEMBL22985895

SCHEMBL22985895

CCN(CC)C1CCN(c2ccc(Nc3nc(Nc4ccccc4SC)c4nc[nH]c4n3)c(OC(C)C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.45
▸ TTK P33981 5/20 0.44
▸ IGF1R P08069 4/20 0.43
▸ INSR P06213 3/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ DCLK1 O15075 1/20 0.43
▸ MAPK7 Q13164 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ FES P07332 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ EGFR P00533 3/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ EML4 Q9HC35 1/20 0.40

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 0.90 TTK (0.54) ALKTTKIGF1RINSRFGFR1
SCHEMBL18018899 0.89 ALK (0.53) ALKTTKIGF1RINSRFGFR1
SCHEMBL22985875 0.83 TTK (0.51) ALKTTKIGF1RINSRFGFR1
SCHEMBL22985929 0.83 TTK (0.57) ALKTTKIGF1RINSRDCLK1
SCHEMBL22985880 0.79 ALK (0.63) ALKIGF1RINSRFGFR1FGFR2
SCHEMBL18018886 0.78 TTK (0.63) ALKTTKIGF1RINSRFGFR1
SCHEMBL3950201 0.76 FES (0.66) ALKTTKIGF1RINSRFGFR1
SCHEMBL3953378 0.74 ALK (0.55) ALKTTKIGF1RINSRFGFR1
SCHEMBL18018799 0.73 TTK (0.70) ALKTTKIGF1RINSRFGFR1
SCHEMBL3951761 0.72 ALK (0.61) ALKTTKIGF1RINSRFGFR1

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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