SCHEMBL30454046

SCHEMBL30454046

CN1CCC(NC(=O)c2ccc(-c3cnc(N)c(OCc4cccc(F)c4C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.49
BMPR1B O00238 3/20 0.48
BMPR1A P36894 3/20 0.48
ACVRL1 P37023 3/20 0.48
ACVR1 Q04771 3/20 0.48
TGFBR1 P36897 2/20 0.48
PTK2 Q05397 3/20 0.46
FYN P06241 1/20 0.46
SLC6A5 Q9Y345 2/20 0.46
AXL P30530 3/20 0.46
MERTK Q12866 3/20 0.46
ATR Q13535 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BTK Q06187 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
SCHEMBL488735 1.00 MET (0.49) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL487889 0.88 MET (0.61) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30453516 0.88 MET (0.61) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30453653 0.85 ATR (0.54) METPTK2SLC6A5AXLMERTK
SCHEMBL487938 0.85 ATR (0.54) METPTK2SLC6A5AXLMERTK
SCHEMBL488288 0.85 KCNH2 (0.56) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30454652 0.85 KCNH2 (0.56) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488715 0.85 MET (0.48) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30452899 0.85 MET (0.48) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30454861 0.83 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