SCHEMBL30452953

SCHEMBL30452953

CC(Oc1nc(-c2ccc(NC(=O)N3CC[C@H](N)C3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.48
MET P08581 13/20 0.47
KCNH2 Q12809 1/20 0.42
CHEK2 O96017 1/20 0.41
ATR Q13535 1/20 0.41
MAP4K2 Q12851 1/20 0.40
MAP3K1 Q13233 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.39
PDGFRA P16234 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALK Q9UM73 2/20 0.37

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
SCHEMBL10216410 1.00 MAP4K3 (0.48) MAP4K3METKCNH2CHEK2ATR
SCHEMBL488804 1.00 MAP4K3 (0.48) MAP4K3METKCNH2CHEK2ATR
SCHEMBL488390 0.95 MAP4K3 (0.54) MAP4K3METCHEK2MAP4K2MAP3K1
SCHEMBL10216416 0.95 MAP4K3 (0.54) MAP4K3METCHEK2MAP4K2MAP3K1
SCHEMBL30452942 0.95 MAP4K3 (0.54) MAP4K3METCHEK2MAP4K2MAP3K1
SCHEMBL488690 0.88 KCNH2 (0.55) MAP4K3METKCNH2CHEK2ATR
SCHEMBL488688 0.88 KCNH2 (0.55) MAP4K3METKCNH2CHEK2ATR
SCHEMBL30452472 0.88 KCNH2 (0.55) MAP4K3METKCNH2CHEK2ATR
SCHEMBL488801 0.88 MET (0.55) MAP4K3METCHEK2ATRMAP4K2
SCHEMBL30453393 0.88 MET (0.55) MAP4K3METCHEK2ATRMAP4K2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4599890-A2 SUNITINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2025-08-13 EP disclosed
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