SCHEMBL30453582

SCHEMBL30453582

CC(Oc1nc(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.67
MAP4K3 Q8IVH8 1/20 0.52
CHEK2 O96017 1/20 0.44
ATR Q13535 2/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL10216337 1.00 MET (0.67) METMAP4K3CHEK2ATRKCNH2
SCHEMBL30454746 0.95 MET (0.74) METMAP4K3CHEK2
SCHEMBL488862 0.95 MET (0.74) METMAP4K3CHEK2
SCHEMBL30453954 0.91 MET (0.60) METMAP4K3CHEK2ATR
SCHEMBL488646 0.91 MET (0.60) METMAP4K3CHEK2ATR
SCHEMBL488797 0.88 MET (0.58) METMAP4K3CHEK2ATRKCNH2
SCHEMBL30453966 0.88 MET (0.58) METMAP4K3CHEK2ATRKCNH2
SCHEMBL30453773 0.87 MET (0.67) METMAP4K3CHEK2KCNH2
SCHEMBL488338 0.87 MET (0.67) METMAP4K3CHEK2KCNH2
SCHEMBL488690 0.86 KCNH2 (0.55) METMAP4K3CHEK2ATRKCNH2

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