SCHEMBL30452732

SCHEMBL30452732

COc1cc(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c(C)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
ABL1 P00519 12/20 1.00
ABL2 P42684 12/20 1.00

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
SCHEMBL1659719 1.00 SRC (1.00) SRCABL1ABL2
SCHEMBL3152705 0.94 SRC (0.92) SRCABL1ABL2
SCHEMBL30453000 0.90 SRC (1.00) SRCABL1ABL2
SCHEMBL1657893 0.90 SRC (1.00) SRCABL1ABL2
SCHEMBL30453979 0.89 SRC (1.00) SRCABL1ABL2
SCHEMBL1657913 0.89 SRC (1.00) SRCABL1ABL2
SCHEMBL28565311 0.89 SRC (0.88) SRCABL1ABL2
SCHEMBL676581 0.87 SRC (1.00) SRCABL1ABL2
SCHEMBL30453888 0.87 SRC (1.00) SRCABL1ABL2
SCHEMBL19250155 0.85 SRC (0.85) SRCABL1ABL2

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