SCHEMBL30452893

SCHEMBL30452893

CC(Oc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.81
BMPR1B O00238 1/20 0.50
BMPR1A P36894 1/20 0.50
TGFBR1 P36897 1/20 0.50
ACVRL1 P37023 1/20 0.50
ACVR1 Q04771 1/20 0.50
ATR Q13535 4/20 0.47
JAK2 O60674 1/20 0.47
CHEK2 O96017 1/20 0.47
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL488700 1.00 MET (0.81) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL488611 0.95 MET (0.74) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30453655 0.95 MET (0.74) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30452523 0.93 MET (0.71) METALDH1A1CD274
SCHEMBL488275 0.93 MET (0.71) METALDH1A1CD274
SCHEMBL30452645 0.93 MET (0.71) METATRJAK2
SCHEMBL488314 0.93 MET (0.71) METATRJAK2
SCHEMBL488644 0.92 MET (0.70) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL488439 0.90 MET (1.00) METJAK2
SCHEMBL30454945 0.90 MET (1.00) METJAK2

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