SCHEMBL30452899

SCHEMBL30452899

CC(Oc1cc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)cnc1N)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.48
BMPR1B O00238 3/20 0.45
BMPR1A P36894 3/20 0.45
ACVRL1 P37023 3/20 0.45
ACVR1 Q04771 3/20 0.45
TGFBR1 P36897 2/20 0.45
FYN P06241 1/20 0.45
ATR Q13535 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTK2 Q05397 2/20 0.42
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
BTK Q06187 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL488715 1.00 MET (0.48) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL27630301 0.88 MET (0.47) MET
SCHEMBL488565 0.85 KCNH2 (0.55) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30453581 0.85 KCNH2 (0.55) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488735 0.85 MET (0.49) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30454046 0.85 MET (0.49) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488550 0.84 MET (0.68) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30452449 0.84 MET (0.68) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488608 0.83 MET (0.62) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30453107 0.83 MET (0.62) 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