SCHEMBL30453000

SCHEMBL30453000

COc1cc2c(Nc3ccc(C)cc3C)c(C#N)cnc2cc1OCC1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 1.00
ABL1 P00519 13/20 1.00
ABL2 P42684 13/20 1.00
EGFR P00533 3/20 0.58
FGFR1 P11362 1/20 0.58
FLT1 P17948 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
FYN P06241 1/20 0.56
ERBB2 P04626 1/20 0.55

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
SCHEMBL1657893 1.00 SRC (1.00) SRCABL1ABL2EGFRFGFR1
SCHEMBL3152705 0.96 SRC (0.92) SRCABL1ABL2EGFRFGFR1
SCHEMBL28565311 0.93 SRC (0.88) SRCABL1ABL2EGFRKDR
SCHEMBL6187802 0.92 SRC (0.85) SRCABL1ABL2EGFRFYN
SCHEMBL1659719 0.90 SRC (1.00) SRCABL1ABL2
SCHEMBL30452732 0.90 SRC (1.00) SRCABL1ABL2
SCHEMBL1657913 0.88 SRC (1.00) SRCABL1ABL2KDR
SCHEMBL30453979 0.88 SRC (1.00) SRCABL1ABL2KDR
SCHEMBL1657788 0.86 SRC (1.00) SRCABL1ABL2FYN
SCHEMBL30453073 0.86 SRC (1.00) SRCABL1ABL2FYN

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