SCHEMBL30453702

SCHEMBL30453702

CC(Oc1nc(-c2cccc(C(=O)N3CC[C@H](N)C3)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.49
MAP4K3 Q8IVH8 1/20 0.48
KCNH2 Q12809 1/20 0.46
ATR Q13535 7/20 0.43
CHEK2 O96017 1/20 0.41
INSR P06213 1/20 0.40
NPM1 P06748 1/20 0.40
ALK Q9UM73 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
SCHEMBL30452577 1.00 MET (0.49) METMAP4K3KCNH2ATRCHEK2
SCHEMBL488013 1.00 MET (0.49) METMAP4K3KCNH2ATRCHEK2
SCHEMBL488683 1.00 MET (0.49) METMAP4K3KCNH2ATRCHEK2
SCHEMBL488014 1.00 MET (0.49) METMAP4K3KCNH2ATRCHEK2
SCHEMBL10216321 0.95 MET (0.55) METMAP4K3KCNH2CHEK2INSR
SCHEMBL10216324 0.95 MET (0.55) METMAP4K3KCNH2CHEK2INSR
SCHEMBL488688 0.92 KCNH2 (0.55) METMAP4K3KCNH2ATRCHEK2
SCHEMBL30452472 0.92 KCNH2 (0.55) METMAP4K3KCNH2ATRCHEK2
SCHEMBL488690 0.92 KCNH2 (0.55) METMAP4K3KCNH2ATRCHEK2
SCHEMBL10216401 0.90 MET (0.50) METMAP4K3KCNH2ATRCHEK2

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