SCHEMBL30453979

SCHEMBL30453979

COc1ccc(C)c(Nc2c(C#N)cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 1.00
ABL1 P00519 14/20 1.00
ABL2 P42684 12/20 1.00
BCR P11274 2/20 0.60
KDR P35968 1/20 0.57
MAP2K1 Q02750 2/20 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
SCHEMBL1657913 1.00 SRC (1.00) SRCABL1ABL2BCRKDR
SCHEMBL28565311 0.93 SRC (0.88) SRCABL1ABL2BCRKDR
SCHEMBL6183158 0.92 SRC (0.85) SRCABL1ABL2BCRMAP2K1
SCHEMBL30454364 0.91 SRC (1.00) SRCABL1ABL2BCRKDR
SCHEMBL1657933 0.91 SRC (1.00) SRCABL1ABL2BCRKDR
SCHEMBL3152315 0.90 SRC (0.83) SRCABL1ABL2BCRKDR
SCHEMBL1659719 0.89 SRC (1.00) SRCABL1ABL2
SCHEMBL30452732 0.89 SRC (1.00) SRCABL1ABL2
SCHEMBL1657893 0.88 SRC (1.00) SRCABL1ABL2KDR
SCHEMBL30453000 0.88 SRC (1.00) SRCABL1ABL2KDR

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