SCHEMBL30453897

SCHEMBL30453897

CC(Oc1nc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.65
CHEK2 O96017 1/20 0.65
ATR Q13535 6/20 0.57
CSF1R P07333 2/20 0.48
ALDH1A1 P00352 1/20 0.44
IKBKB O14920 1/20 0.44
MAP4K4 O95819 1/20 0.44
HSD17B10 Q99714 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SRC P12931 1/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 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
SCHEMBL488319 1.00 MET (0.65) METCHEK2ATRCSF1RALDH1A1
SCHEMBL30453082 0.95 MET (0.63) METCHEK2ATRCSF1R
SCHEMBL487993 0.95 MET (0.63) METCHEK2ATRCSF1R
SCHEMBL30454540 0.93 MET (0.60) METCHEK2ATRALDH1A1MAP4K4
SCHEMBL488149 0.93 MET (0.60) METCHEK2ATRALDH1A1MAP4K4
SCHEMBL30453791 0.93 ATR (0.59) METCHEK2ATRIKBKBMAP4K4
SCHEMBL488359 0.93 ATR (0.59) METCHEK2ATRIKBKBMAP4K4
SCHEMBL488168 0.92 MET (0.59) METCHEK2ATRCSF1RBMPR1B
SCHEMBL488699 0.88 MET (0.55) METCHEK2ATRIKBKBMAP4K4
SCHEMBL30452733 0.88 MET (0.55) METCHEK2ATRIKBKBMAP4K4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed