SCHEMBL30453079

SCHEMBL30453079

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccccc4Cl)c3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.63
KCNH2 Q12809 3/20 0.55
MAP4K4 O95819 1/20 0.50
BMPR1B O00238 2/20 0.49
BMPR1A P36894 2/20 0.49
ACVRL1 P37023 2/20 0.49
ACVR1 Q04771 2/20 0.49
TGFBR1 P36897 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
MAP4K3 Q8IVH8 1/20 0.49
POLB P06746 1/20 0.48
SYK P43405 1/20 0.47

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
SCHEMBL488445 1.00 MET (0.63) METKCNH2MAP4K4BMPR1BBMPR1A
SCHEMBL488146 0.93 MET (0.63) METKCNH2MAP4K4HPGDMAP4K3
SCHEMBL30453233 0.93 MET (0.63) METKCNH2MAP4K4HPGDMAP4K3
SCHEMBL488239 0.90 MET (0.64) METKCNH2MAP4K4BMPR1BBMPR1A
SCHEMBL30453900 0.90 MET (0.64) METKCNH2MAP4K4BMPR1BBMPR1A
SCHEMBL488098 0.90 MET (0.63) METKCNH2MAP4K4BMPR1BBMPR1A
SCHEMBL30453146 0.90 MET (0.63) METKCNH2MAP4K4BMPR1BBMPR1A
SCHEMBL30452936 0.89 MET (0.55) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL488152 0.89 MET (0.55) METKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL30452541 0.87 MET (0.66) METKCNH2MAP4K4BMPR1BBMPR1A

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