SCHEMBL30453727

SCHEMBL30453727

Cc1ccccc1COc1cc(-c2ccc(C(=O)N3CC(C)NC(C)C3)cc2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.55
MAP4K4 O95819 3/20 0.48
MAP4K3 Q8IVH8 3/20 0.43
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL488598 1.00 MET (0.55) METMAP4K4MAP4K3AXLMERTK
SCHEMBL10218151 0.91 MET (0.56) METMAP4K4MAP4K3AXLMERTK
SCHEMBL10218367 0.90 MET (0.57) METMAP4K4MAP4K3AXLMERTK
SCHEMBL30453566 0.88 MAP4K4 (0.64) METMAP4K4MAP4K3CCNCCDK8
SCHEMBL488686 0.88 MAP4K4 (0.64) METMAP4K4MAP4K3CCNCCDK8
SCHEMBL10218287 0.87 MET (0.53) METMAP4K4MAP4K3
SCHEMBL10218171 0.87 MET (0.57) METMAP4K4MAP4K3CCNCCDK8
SCHEMBL10218397 0.87 MET (0.51) METMAP4K4MAP4K3AXLMERTK
SCHEMBL10218191 0.87 MET (0.58) METMAP4K4MAP4K3
SCHEMBL10218093 0.87 MET (0.60) METMAP4K4MAP4K3

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