SCHEMBL30453516

SCHEMBL30453516

CN1CCC(NC(=O)c2ccc(-c3cnc(N)c(OCc4ccccc4C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.61
MAP4K3 Q8IVH8 1/20 0.51
PTK2 Q05397 4/20 0.49
BMPR1B O00238 3/20 0.49
BMPR1A P36894 3/20 0.49
ACVRL1 P37023 3/20 0.49
ACVR1 Q04771 3/20 0.49
TGFBR1 P36897 2/20 0.49
ATR Q13535 1/20 0.49
NEK2 P51955 3/20 0.48
FYN P06241 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
AXL P30530 1/20 0.47
MERTK Q12866 1/20 0.47
SSTR1 P30872 1/20 0.46
SSTR4 P31391 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL487889 1.00 MET (0.61) METMAP4K3PTK2BMPR1BBMPR1A
SCHEMBL30454046 0.88 MET (0.49) METPTK2BMPR1BBMPR1AACVRL1
SCHEMBL488735 0.88 MET (0.49) METPTK2BMPR1BBMPR1AACVRL1
SCHEMBL487958 0.86 MET (0.61) METPTK2BMPR1BBMPR1AACVRL1
SCHEMBL30454861 0.86 MET (0.61) METPTK2BMPR1BBMPR1AACVRL1
SCHEMBL30453650 0.84 MET (0.65) METMAP4K3BMPR1BBMPR1AACVRL1
SCHEMBL488012 0.84 MET (0.65) METMAP4K3BMPR1BBMPR1AACVRL1
SCHEMBL488334 0.82 MET (0.60) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30452925 0.82 MET (0.60) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL487988 0.82 MET (0.61) METBMPR1BBMPR1AACVRL1ACVR1

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