SCHEMBL22985915

SCHEMBL22985915

CC(C)Oc1cc(CN2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2S(C)(=O)=O)c2nc[nH]c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.54
▸ INSR P06213 11/20 0.54
▸ FGFR1 P11362 2/20 0.54
▸ FGFR2 P21802 2/20 0.54
▸ FGFR4 P22455 2/20 0.54
▸ FGFR3 P22607 2/20 0.54
▸ IGF1R P08069 6/20 0.52
▸ ROS1 P08922 3/20 0.48
▸ PTK2 Q05397 3/20 0.48
▸ PTK2B Q14289 3/20 0.48
▸ BMPR1B O00238 2/20 0.48
▸ PLK4 O00444 2/20 0.48
▸ GAK O14976 2/20 0.48
▸ ERN1 O75460 2/20 0.48
▸ STK10 O94804 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ EGFR P00533 2/20 0.48
▸ LCK P06239 2/20 0.48
▸ FYN P06241 2/20 0.48
▸ FES P07332 2/20 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
SCHEMBL18018896 0.86 ALK (0.53) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018897 0.82 ALK (0.63) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018887 0.81 ALK (0.76) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018889 0.81 ALK (0.60) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018795 0.81 ALK (0.69) ALKINSRIGF1RABL1EGFR
SCHEMBL18018898 0.80 MAPK7 (0.48) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018886 0.79 TTK (0.63) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL1545735 0.78 ALK (0.61) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12388986 0.78 ALK (0.53) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018899 0.77 ALK (0.53) ALKINSRFGFR1FGFR2FGFR4

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-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778605-A2 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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