SCHEMBL30454532

SCHEMBL30454532

CC(Oc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.54
ATR Q13535 4/20 0.53
MAP4K3 Q8IVH8 1/20 0.49
CHEK2 O96017 2/20 0.48
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
BTK Q06187 1/20 0.41
MAP4K2 Q12851 1/20 0.41
MAP3K1 Q13233 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL488073 1.00 MET (0.54) METATRMAP4K3CHEK2CDK1
SCHEMBL30452777 0.95 MET (0.60) METATRMAP4K3CHEK2MAP4K2
SCHEMBL488291 0.95 MET (0.60) METATRMAP4K3CHEK2MAP4K2
SCHEMBL488250 0.92 ATR (0.56) METATRMAP4K3CHEK2CDK1
SCHEMBL30454131 0.92 ATR (0.56) METATRMAP4K3CHEK2CDK1
SCHEMBL488783 0.89 MET (0.52) METATRMAP4K3CHEK2MAP4K2
SCHEMBL30454106 0.89 MET (0.52) METATRMAP4K3CHEK2MAP4K2
SCHEMBL30452827 0.88 MET (0.61) METATRMAP4K3CHEK2
SCHEMBL488582 0.88 MET (0.61) METATRMAP4K3CHEK2
SCHEMBL487858 0.87 MET (0.59) METATRMAP4K3CHEK2MAP4K2

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