SCHEMBL30453650

SCHEMBL30453650

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccccc4C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.65
KCNH2 Q12809 7/20 0.59
MAP4K3 Q8IVH8 1/20 0.51
NEK2 P51955 5/20 0.50
MAP4K4 O95819 1/20 0.48
BMPR1B O00238 2/20 0.47
BMPR1A P36894 2/20 0.47
ACVRL1 P37023 2/20 0.47
ACVR1 Q04771 2/20 0.47
TGFBR1 P36897 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
SCHEMBL488012 1.00 MET (0.65) METKCNH2MAP4K3NEK2MAP4K4
SCHEMBL488532 0.93 MET (0.65) METKCNH2MAP4K3MAP4K4
SCHEMBL30453327 0.93 MET (0.65) METKCNH2MAP4K3MAP4K4
SCHEMBL27915639 0.89 MET (0.61) METKCNH2MAP4K3NEK2MAP4K4
SCHEMBL27915640 0.88 MET (0.60) METKCNH2MAP4K3NEK2MAP4K4
SCHEMBL30454652 0.87 KCNH2 (0.56) METKCNH2MAP4K4BMPR1BBMPR1A
SCHEMBL488288 0.87 KCNH2 (0.56) METKCNH2MAP4K4BMPR1BBMPR1A
SCHEMBL30453079 0.86 MET (0.63) METKCNH2MAP4K3MAP4K4BMPR1B
SCHEMBL488445 0.86 MET (0.63) METKCNH2MAP4K3MAP4K4BMPR1B
SCHEMBL30453248 0.86 MET (0.69) METMAP4K3MAP4K4

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